(2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide

C12H18N2O2 — CID 29061664

IUPAC(2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(C[C@@H](CN)C(N)=O)cc1
InChIInChI=1S/C12H18N2O2/c1-2-16-11-5-3-9(4-6-11)7-10(8-13)12(14)15/h3-6,10H,2,7-8,13H2,1H3,(H2,14,15)/t10-/m0/s1
InChIKeyFWLAZESHVLTOAN-JTQLQIEISA-N
MW222.29 g/mol
LogP0.69
Rot. Bonds6

About (2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide

(2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide (PubChem CID 29061664) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide
PubChem CID29061664
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(C[C@@H](CN)C(N)=O)cc1
InChIInChI=1S/C12H18N2O2/c1-2-16-11-5-3-9(4-6-11)7-10(8-13)12(14)15/h3-6,10H,2,7-8,13H2,1H3,(H2,14,15)/t10-/m0/s1
InChIKeyFWLAZESHVLTOAN-JTQLQIEISA-N
XLogP0.69
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(aminomethyl)-3-(4-ethoxyphenyl)propanoate
CID 103522430
2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 83932188
2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide
CID 62497613
N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95590950
ethyl 2-[[4-(2-aminoethoxy)phenyl]methyl]pentanoate
CID 18625895
2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
2-[(4-methoxyphenyl)methyl]butanediamide
CID 70065989
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
CID 60872757
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
2-(4-ethoxyphenoxy)butanamide
CID 62901060
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide (CID 29061664) is (2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(C[C@@H](CN)C(N)=O)cc1.
What is the InChIKey of (2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide?
The InChIKey is FWLAZESHVLTOAN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-16-11-5-3-9(4-6-11)7-10(8-13)12(14)15/h3-6,10H,2,7-8,13H2,1H3,(H2,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide?
(2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 29061664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).