N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine

C20H27N — CID 43720303

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C20H27N/c1-5-9-20(18-10-7-6-8-11-18)21-17(4)19-14-15(2)12-13-16(19)3/h6-8,10-14,17,20-21H,5,9H2,1-4H3
InChIKeyRRANZFQHMORCKD-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.50
Rot. Bonds6

About N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine

N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine (PubChem CID 43720303) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
PubChem CID43720303
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C20H27N/c1-5-9-20(18-10-7-6-8-11-18)21-17(4)19-14-15(2)12-13-16(19)3/h6-8,10-14,17,20-21H,5,9H2,1-4H3
InChIKeyRRANZFQHMORCKD-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720327
4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol
CID 43732505
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358
N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine
CID 60781859
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43684931
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine (CID 43720303) is N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine is CCCC(NC(C)c1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is RRANZFQHMORCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-9-20(18-10-7-6-8-11-18)21-17(4)19-14-15(2)12-13-16(19)3/h6-8,10-14,17,20-21H,5,9H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43720303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).