2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide

C15H24N2O2 — CID 81373712

IUPAC2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1cccc([C@@H](C)NC(=O)C(CN)C(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-10(2)14(9-16)15(18)17-11(3)12-6-5-7-13(8-12)19-4/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)/t11-,14?/m1/s1
InChIKeyXLRDIXPMOUPTPT-YNODCEANSA-N
MW264.37 g/mol
LogP2.10
Rot. Bonds6

About 2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide

2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide (PubChem CID 81373712) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
PubChem CID81373712
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1cccc([C@@H](C)NC(=O)C(CN)C(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-10(2)14(9-16)15(18)17-11(3)12-6-5-7-13(8-12)19-4/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)/t11-,14?/m1/s1
InChIKeyXLRDIXPMOUPTPT-YNODCEANSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 65228366
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanediamide
CID 81373933
4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
CID 64889104
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 60934244
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 119064075

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide (CID 81373712) is 2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide is COc1cccc([C@@H](C)NC(=O)C(CN)C(C)C)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide?
The InChIKey is XLRDIXPMOUPTPT-YNODCEANSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)14(9-16)15(18)17-11(3)12-6-5-7-13(8-12)19-4/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)/t11-,14?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide?
2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 81373712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).