1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine

C17H20ClN — CID 115849493

IUPAC1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
SMILESCc1ccc(Cl)cc1C(N)CCCc1ccccc1
InChIInChI=1S/C17H20ClN/c1-13-10-11-15(18)12-16(13)17(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,17H,5,8-9,19H2,1H3
InChIKeyACEYHAOHXFKVEQ-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.67
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine

1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine (PubChem CID 115849493) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
PubChem CID115849493
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
SMILESCc1ccc(Cl)cc1C(N)CCCc1ccccc1
InChIInChI=1S/C17H20ClN/c1-13-10-11-15(18)12-16(13)17(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,17H,5,8-9,19H2,1H3
InChIKeyACEYHAOHXFKVEQ-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105024568
1-(5-chloro-2-methylphenyl)pent-4-yn-1-amine
CID 115859365
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
CID 82871275
[1-(2,5-dichlorophenyl)-4-phenylbutyl]hydrazine
CID 105299790
[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine
CID 105279983
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine
CID 114894528
1-[5-chloro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 62074214
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine
CID 114028417

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine (CID 115849493) is 1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine is Cc1ccc(Cl)cc1C(N)CCCc1ccccc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine?
The InChIKey is ACEYHAOHXFKVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-10-11-15(18)12-16(13)17(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,17H,5,8-9,19H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine?
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 115849493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).