2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine

C20H27N — CID 19597880

IUPAC2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine
SMILESCc1ccc(C)c(C(CN)CCCCc2ccccc2)c1
InChIInChI=1S/C20H27N/c1-16-12-13-17(2)20(14-16)19(15-21)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-14,19H,6-7,10-11,15,21H2,1-2H3
InChIKeyXLRNNSBBICQGFD-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.76
Rot. Bonds7

About 2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine

2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine (PubChem CID 19597880) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine
PubChem CID19597880
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine
SMILESCc1ccc(C)c(C(CN)CCCCc2ccccc2)c1
InChIInChI=1S/C20H27N/c1-16-12-13-17(2)20(14-16)19(15-21)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-14,19H,6-7,10-11,15,21H2,1-2H3
InChIKeyXLRNNSBBICQGFD-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.76
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

1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
CID 43081126
3-amino-2-(2,5-dimethylphenyl)propan-1-ol
CID 82280728
2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 82138492
2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82077390
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
2-(2-methylphenyl)decan-1-amine
CID 79421405
3-[3-amino-2-(2,5-dimethylphenyl)propyl]benzonitrile
CID 82140987
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
2,5-dimethyl-N-(4-phenylbutyl)aniline
CID 114333158
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
CID 115849493
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine (CID 19597880) is 2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine is Cc1ccc(C)c(C(CN)CCCCc2ccccc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine?
The InChIKey is XLRNNSBBICQGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-16-12-13-17(2)20(14-16)19(15-21)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-14,19H,6-7,10-11,15,21H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine?
2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine is sourced from PubChem (CID 19597880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).