3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine

C17H20ClN — CID 19073696

IUPAC3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(CC(c2ccc(Cl)cc2)C(C)N)cc1
InChIInChI=1S/C17H20ClN/c1-12-3-5-14(6-4-12)11-17(13(2)19)15-7-9-16(18)10-8-15/h3-10,13,17H,11,19H2,1-2H3
InChIKeyWSHRGHYMZGHDNC-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.32
Rot. Bonds4

About 3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine

3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine (PubChem CID 19073696) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine
PubChem CID19073696
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(CC(c2ccc(Cl)cc2)C(C)N)cc1
InChIInChI=1S/C17H20ClN/c1-12-3-5-14(6-4-12)11-17(13(2)19)15-7-9-16(18)10-8-15/h3-10,13,17H,11,19H2,1-2H3
InChIKeyWSHRGHYMZGHDNC-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 19073662
(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
CID 23404723
4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
CID 19073683
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine
CID 19073588
4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine
CID 19073641
1-(4-chlorophenyl)propan-2-amine
CID 3127
4-(4-methylphenyl)-3-phenylbutan-2-amine;4-(4-methylphenyl)-3-phenylbutan-2-one
CID 162155664
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
3-methyl-4-(4-methylphenyl)butan-2-amine
CID 60996372
4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 105454010
3-[3-amino-1-(4-methylphenyl)butan-2-yl]benzonitrile
CID 154648359

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine (CID 19073696) is 3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine is Cc1ccc(CC(c2ccc(Cl)cc2)C(C)N)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine?
The InChIKey is WSHRGHYMZGHDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-3-5-14(6-4-12)11-17(13(2)19)15-7-9-16(18)10-8-15/h3-10,13,17H,11,19H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine?
3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine has a molecular weight of 273.81 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 19073696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).