N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine

C20H27N — CID 18790228

IUPACN-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
SMILESCc1ccc(CCNCCCCCc2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-18-11-13-20(14-12-18)15-17-21-16-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,21H,3,6-7,10,15-17H2,1H3
InChIKeyVNHUSPBSIACRQW-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.54
Rot. Bonds9

About N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine

N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine (PubChem CID 18790228) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
PubChem CID18790228
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
SMILESCc1ccc(CCNCCCCCc2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-18-11-13-20(14-12-18)15-17-21-16-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,21H,3,6-7,10,15-17H2,1H3
InChIKeyVNHUSPBSIACRQW-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
5-phenyl-N-propylpentan-1-amine
CID 62530615
N-(2-phenylethyl)undecan-1-amine
CID 141108004
4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine
CID 159418056
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
4-[2-(4-methylphenyl)ethylamino]butan-1-ol
CID 115217735
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine (CID 18790228) is N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine is Cc1ccc(CCNCCCCCc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine?
The InChIKey is VNHUSPBSIACRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-18-11-13-20(14-12-18)15-17-21-16-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,21H,3,6-7,10,15-17H2,1H3.
What are the key properties of N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine?
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine is sourced from PubChem (CID 18790228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).