N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C22H35ClN2O2 — CID 120915676

IUPACN-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCOc1cccc(C2(CNC3CCCC3C3COCCN3)CCCC2)c1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-25-18-7-4-6-17(14-18)22(10-2-3-11-22)16-24-20-9-5-8-19(20)21-15-26-13-12-23-21;/h4,6-7,14,19-21,23-24H,2-3,5,8-13,15-16H2,1H3;1H
InChIKeyKIXKJOYTHHDIHP-UHFFFAOYSA-N
MW394.99 g/mol
LogP3.68
Rot. Bonds6

About N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120915676) has the molecular formula C22H35ClN2O2 and a molecular weight of 394.99 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120915676
Molecular FormulaC22H35ClN2O2
Molecular Weight394.99 g/mol
Exact Mass394.24
IUPAC NameN-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCOc1cccc(C2(CNC3CCCC3C3COCCN3)CCCC2)c1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-25-18-7-4-6-17(14-18)22(10-2-3-11-22)16-24-20-9-5-8-19(20)21-15-26-13-12-23-21;/h4,6-7,14,19-21,23-24H,2-3,5,8-13,15-16H2,1H3;1H
InChIKeyKIXKJOYTHHDIHP-UHFFFAOYSA-N
XLogP3.68
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.99
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

2-morpholin-3-yl-N-[(1-phenylcyclopentyl)methyl]cyclopentan-1-amine
CID 120915053
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915787
2-morpholin-3-yl-N-[(1-phenylcyclobutyl)methyl]cyclopentan-1-amine
CID 120915057
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914474
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119780111
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914739
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916338
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428
N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914249
N-[2-(3-fluorophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914853

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120915676) is N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is COc1cccc(C2(CNC3CCCC3C3COCCN3)CCCC2)c1.Cl.
What is the InChIKey of N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is KIXKJOYTHHDIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2.ClH/c1-25-18-7-4-6-17(14-18)22(10-2-3-11-22)16-24-20-9-5-8-19(20)21-15-26-13-12-23-21;/h4,6-7,14,19-21,23-24H,2-3,5,8-13,15-16H2,1H3;1H.
What are the key properties of N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 394.99 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).