2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide

C13H19ClN2O — CID 81354622

IUPAC2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-3-10(8-15)13(17)16-9(2)11-4-6-12(14)7-5-11/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17)/t9-,10?/m1/s1
InChIKeyAQEYVQPAYAANCP-YHMJZVADSA-N
MW254.76 g/mol
LogP2.50
Rot. Bonds5

About 2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide

2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide (PubChem CID 81354622) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide
PubChem CID81354622
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-3-10(8-15)13(17)16-9(2)11-4-6-12(14)7-5-11/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17)/t9-,10?/m1/s1
InChIKeyAQEYVQPAYAANCP-YHMJZVADSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354281
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834
2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide
CID 65224904
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 81359365
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide (CID 81354622) is 2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide is CCC(CN)C(=O)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide?
The InChIKey is AQEYVQPAYAANCP-YHMJZVADSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-10(8-15)13(17)16-9(2)11-4-6-12(14)7-5-11/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17)/t9-,10?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide?
2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide has a molecular weight of 254.76 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide is sourced from PubChem (CID 81354622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).