N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine

C28H34N2O — CID 44534753

IUPACN-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine
SMILESCOc1cccc(CCNCc2ccc(-c3cccc(CNC4CCCC4)c3)cc2)c1
InChIInChI=1S/C28H34N2O/c1-31-28-11-5-6-22(19-28)16-17-29-20-23-12-14-25(15-13-23)26-8-4-7-24(18-26)21-30-27-9-2-3-10-27/h4-8,11-15,18-19,27,29-30H,2-3,9-10,16-17,20-21H2,1H3
InChIKeyMUUZXSOSDACANM-UHFFFAOYSA-N
MW414.59 g/mol
LogP5.73
Rot. Bonds10

About N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine

N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine (PubChem CID 44534753) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine
PubChem CID44534753
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC NameN-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine
SMILESCOc1cccc(CCNCc2ccc(-c3cccc(CNC4CCCC4)c3)cc2)c1
InChIInChI=1S/C28H34N2O/c1-31-28-11-5-6-22(19-28)16-17-29-20-23-12-14-25(15-13-23)26-8-4-7-24(18-26)21-30-27-9-2-3-10-27/h4-8,11-15,18-19,27,29-30H,2-3,9-10,16-17,20-21H2,1H3
InChIKeyMUUZXSOSDACANM-UHFFFAOYSA-N
XLogP5.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine with MolForge

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Related Compounds

N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64623988
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 2165894
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine (CID 44534753) is N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine is COc1cccc(CCNCc2ccc(-c3cccc(CNC4CCCC4)c3)cc2)c1.
What is the InChIKey of N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine?
The InChIKey is MUUZXSOSDACANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-31-28-11-5-6-22(19-28)16-17-29-20-23-12-14-25(15-13-23)26-8-4-7-24(18-26)21-30-27-9-2-3-10-27/h4-8,11-15,18-19,27,29-30H,2-3,9-10,16-17,20-21H2,1H3.
What are the key properties of N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine?
N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine has a molecular weight of 414.59 g/mol, XLogP of 5.73, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 44534753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).