2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide

C16H26N2O2 — CID 81387704

IUPAC2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)C(CN)CC(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)9-13(10-17)16(19)18-12(3)14-7-5-6-8-15(14)20-4/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyCSIDSDYSXDYEOC-UEWDXFNNSA-N
MW278.40 g/mol
LogP2.49
Rot. Bonds7

About 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide

2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide (PubChem CID 81387704) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
PubChem CID81387704
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)C(CN)CC(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)9-13(10-17)16(19)18-12(3)14-7-5-6-8-15(14)20-4/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyCSIDSDYSXDYEOC-UEWDXFNNSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387150
2-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 65229535
2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
CID 81387473
2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide
CID 81378675
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide (CID 81387704) is 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide is COc1ccccc1[C@H](C)NC(=O)C(CN)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide?
The InChIKey is CSIDSDYSXDYEOC-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)9-13(10-17)16(19)18-12(3)14-7-5-6-8-15(14)20-4/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide?
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 81387704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).