4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine

C20H27N — CID 63420680

IUPAC4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCCCc2ccccc2)c1
InChIInChI=1S/C20H27N/c1-17-8-6-11-20(16-17)14-13-18(2)21-15-7-12-19-9-4-3-5-10-19/h3-6,8-11,16,18,21H,7,12-15H2,1-2H3
InChIKeyBFSAOPKIRAGRAO-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.54
Rot. Bonds8

About 4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine

4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine (PubChem CID 63420680) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
PubChem CID63420680
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCCCc2ccccc2)c1
InChIInChI=1S/C20H27N/c1-17-8-6-11-20(16-17)14-13-18(2)21-15-7-12-19-9-4-3-5-10-19/h3-6,8-11,16,18,21H,7,12-15H2,1-2H3
InChIKeyBFSAOPKIRAGRAO-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-(3-ethylsulfanylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 114247868
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide
CID 103776608
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine (CID 63420680) is 4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine is Cc1cccc(CCC(C)NCCCc2ccccc2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine?
The InChIKey is BFSAOPKIRAGRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-17-8-6-11-20(16-17)14-13-18(2)21-15-7-12-19-9-4-3-5-10-19/h3-6,8-11,16,18,21H,7,12-15H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine?
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine is sourced from PubChem (CID 63420680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).