N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine

C14H22N2O — CID 99629716

IUPACN-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
SMILESCCNC[C@@H]1COCCN1Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-2-15-10-14-12-17-9-8-16(14)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t14-/m1/s1
InChIKeyDHUPRARYKXHPHU-CQSZACIVSA-N
MW234.34 g/mol
LogP1.50
Rot. Bonds5

About N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine

N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine (PubChem CID 99629716) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
PubChem CID99629716
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
SMILESCCNC[C@@H]1COCCN1Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-2-15-10-14-12-17-9-8-16(14)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t14-/m1/s1
InChIKeyDHUPRARYKXHPHU-CQSZACIVSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-ethylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100237
N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100725
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099905
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 102856201
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099746
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100255

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine (CID 99629716) is N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine is CCNC[C@@H]1COCCN1Cc1ccccc1.
What is the InChIKey of N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine?
The InChIKey is DHUPRARYKXHPHU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-15-10-14-12-17-9-8-16(14)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t14-/m1/s1.
What are the key properties of N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine?
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 99629716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).