N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine

C18H30N2O — CID 62974242

IUPACN-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)CN1CCCOC(C)C1
InChIInChI=1S/C18H30N2O/c1-4-19-18(17-9-6-5-7-10-17)15(2)13-20-11-8-12-21-16(3)14-20/h5-7,9-10,15-16,18-19H,4,8,11-14H2,1-3H3
InChIKeyMJIQRMVHZQXKAE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds6

About N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine

N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine (PubChem CID 62974242) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine
PubChem CID62974242
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)CN1CCCOC(C)C1
InChIInChI=1S/C18H30N2O/c1-4-19-18(17-9-6-5-7-10-17)15(2)13-20-11-8-12-21-16(3)14-20/h5-7,9-10,15-16,18-19H,4,8,11-14H2,1-3H3
InChIKeyMJIQRMVHZQXKAE-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
CID 62986930
1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
CID 62619132
N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618034
N-ethyl-3-(4-methoxypiperidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618390
3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol
CID 64897757
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 63494884
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine
CID 62974266

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine (CID 62974242) is N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine is CCNC(c1ccccc1)C(C)CN1CCCOC(C)C1.
What is the InChIKey of N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine?
The InChIKey is MJIQRMVHZQXKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-18(17-9-6-5-7-10-17)15(2)13-20-11-8-12-21-16(3)14-20/h5-7,9-10,15-16,18-19H,4,8,11-14H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine?
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 62974242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).