N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride

C20H26ClNO — CID 18784188

IUPACN-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride
SMILESCOc1ccc(C2CCC(CNCc3ccccc3)C2)cc1.Cl
InChIInChI=1S/C20H25NO.ClH/c1-22-20-11-9-18(10-12-20)19-8-7-17(13-19)15-21-14-16-5-3-2-4-6-16;/h2-6,9-12,17,19,21H,7-8,13-15H2,1H3;1H
InChIKeyQQYZSAPBFUVJTL-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.79
Rot. Bonds6

About N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride

N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride (PubChem CID 18784188) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride
PubChem CID18784188
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC NameN-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride
SMILESCOc1ccc(C2CCC(CNCc3ccccc3)C2)cc1.Cl
InChIInChI=1S/C20H25NO.ClH/c1-22-20-11-9-18(10-12-20)19-8-7-17(13-19)15-21-14-16-5-3-2-4-6-16;/h2-6,9-12,17,19,21H,7-8,13-15H2,1H3;1H
InChIKeyQQYZSAPBFUVJTL-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214033
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
CID 143710570
1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 106121121
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride
CID 171784857
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
benzaldehyde;N-benzyl-1-cyclopropylmethanamine
CID 158539783
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride?
The IUPAC name of N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride (CID 18784188) is N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride.
What is the SMILES notation for N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride?
The canonical SMILES for N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride is COc1ccc(C2CCC(CNCc3ccccc3)C2)cc1.Cl.
What is the InChIKey of N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride?
The InChIKey is QQYZSAPBFUVJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.ClH/c1-22-20-11-9-18(10-12-20)19-8-7-17(13-19)15-21-14-16-5-3-2-4-6-16;/h2-6,9-12,17,19,21H,7-8,13-15H2,1H3;1H.
What are the key properties of N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride?
N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride is sourced from PubChem (CID 18784188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).