4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride

C21H27ClN2O2 — CID 130385065

IUPAC4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride
SMILESC[C@@H](NCC1CN(CC2CC2)C(=O)CO1)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)22-11-18-13-23(12-16-9-10-16)21(24)14-25-18;/h2-8,15-16,18,22H,9-14H2,1H3;1H/t15-,18?;/m1./s1
InChIKeyWEOXMTFEFOGZGE-BARLLYERSA-N
MW374.91 g/mol
LogP3.55
Rot. Bonds6

About 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride

4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride (PubChem CID 130385065) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride
PubChem CID130385065
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride
SMILESC[C@@H](NCC1CN(CC2CC2)C(=O)CO1)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)22-11-18-13-23(12-16-9-10-16)21(24)14-25-18;/h2-8,15-16,18,22H,9-14H2,1H3;1H/t15-,18?;/m1./s1
InChIKeyWEOXMTFEFOGZGE-BARLLYERSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride with MolForge

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Related Compounds

4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 121458586
3-[[2-[(1-naphthalen-1-ylethylamino)methyl]-5-oxomorpholin-4-yl]methyl]benzoic acid
CID 72680316
4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 122522388
6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 71623131
(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 164884131
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide
CID 77464215
4-methyl-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid;hydrochloride
CID 66551911
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
(1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 141392582
(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide
CID 118785319
(1R)-N-[[4-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-naphthalen-1-ylethanamine
CID 66551320

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride?
The IUPAC name of 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride (CID 130385065) is 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride?
The canonical SMILES for 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride is C[C@@H](NCC1CN(CC2CC2)C(=O)CO1)c1cccc2ccccc12.Cl.
What is the InChIKey of 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride?
The InChIKey is WEOXMTFEFOGZGE-BARLLYERSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)22-11-18-13-23(12-16-9-10-16)21(24)14-25-18;/h2-8,15-16,18,22H,9-14H2,1H3;1H/t15-,18?;/m1./s1.
What are the key properties of 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride?
4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride is sourced from PubChem (CID 130385065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).