N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride

C15H21ClF2N2O2 — CID 119601484

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-9(21-11-5-6-12(16)13(17)7-11)15(20)19-14-4-2-3-10(14)8-18;/h5-7,9-10,14H,2-4,8,18H2,1H3,(H,19,20);1H
InChIKeyAXRIUZKPLDXGMW-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride (PubChem CID 119601484) has the molecular formula C15H21ClF2N2O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
PubChem CID119601484
Molecular FormulaC15H21ClF2N2O2
Molecular Weight334.79 g/mol
Exact Mass334.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-9(21-11-5-6-12(16)13(17)7-11)15(20)19-14-4-2-3-10(14)8-18;/h5-7,9-10,14H,2-4,8,18H2,1H3,(H,19,20);1H
InChIKeyAXRIUZKPLDXGMW-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide
CID 119604613
N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride
CID 119612248
N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide
CID 119611877
4-[2-(3,4-difluorophenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229245
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide
CID 119611217
N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119611197
N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119569334
N-[2-(aminomethyl)cyclopentyl]-2-(2-fluorophenoxy)butanamide
CID 119605380
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119600994
N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119610739
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride (CID 119601484) is N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride is CC(Oc1ccc(F)c(F)c1)C(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride?
The InChIKey is AXRIUZKPLDXGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2.ClH/c1-9(21-11-5-6-12(16)13(17)7-11)15(20)19-14-4-2-3-10(14)8-18;/h5-7,9-10,14H,2-4,8,18H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119601484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).