N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride

C14H22Cl2N2O — CID 119571282

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)Cc1ccccc1Cl.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-3-14(4-2,10-16)17-13(18)9-11-7-5-6-8-12(11)15;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18);1H
InChIKeyZEJROTXOLKSHDW-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.94
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride (PubChem CID 119571282) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
PubChem CID119571282
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)Cc1ccccc1Cl.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-3-14(4-2,10-16)17-13(18)9-11-7-5-6-8-12(11)15;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18);1H
InChIKeyZEJROTXOLKSHDW-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-(2-chlorophenyl)acetamide
CID 114010841
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119570058
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119570398
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119568709
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119569556
2-(2-chlorophenyl)-N-[2-(4-chlorophenyl)propan-2-yl]acetamide
CID 12807701
N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide
CID 63887570
N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide
CID 119571116
N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119572064
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148441

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride (CID 119571282) is N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride is CCC(CC)(CN)NC(=O)Cc1ccccc1Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride?
The InChIKey is ZEJROTXOLKSHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-3-14(4-2,10-16)17-13(18)9-11-7-5-6-8-12(11)15;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119571282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).