4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine

C17H20ClN — CID 82541745

IUPAC4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine
SMILESCc1c(Cl)cccc1-c1ccc(CCC(C)N)cc1
InChIInChI=1S/C17H20ClN/c1-12(19)6-7-14-8-10-15(11-9-14)16-4-3-5-17(18)13(16)2/h3-5,8-12H,6-7,19H2,1-2H3
InChIKeyXUENQLPQDPHAGZ-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.60
Rot. Bonds4

About 4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine

4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine (PubChem CID 82541745) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine
PubChem CID82541745
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine
SMILESCc1c(Cl)cccc1-c1ccc(CCC(C)N)cc1
InChIInChI=1S/C17H20ClN/c1-12(19)6-7-14-8-10-15(11-9-14)16-4-3-5-17(18)13(16)2/h3-5,8-12H,6-7,19H2,1-2H3
InChIKeyXUENQLPQDPHAGZ-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
1-[4-(3-chloro-2-methylphenyl)phenyl]-3-methylbutan-2-one
CID 82540979
1-chloro-2-methyl-3-(4-methylphenyl)benzene
CID 164892944
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
4-[4-(3-methylphenyl)phenyl]butan-2-amine
CID 82542141
4-(4-chloro-3-methylphenyl)butan-2-amine
CID 130054284
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
(2S)-4-phenylbutan-2-amine
CID 6994564
3-[4-(3-chloro-2-methylphenyl)phenyl]-5-(3-methylbutyl)-1,2-dihydrotriazole
CID 122494953
(2S)-4-(4-chloro-3-iodophenyl)butan-2-amine
CID 130700348
4-(4-chloro-3-iodophenyl)butan-2-amine
CID 130054291
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine (CID 82541745) is 4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine is Cc1c(Cl)cccc1-c1ccc(CCC(C)N)cc1.
What is the InChIKey of 4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine?
The InChIKey is XUENQLPQDPHAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12(19)6-7-14-8-10-15(11-9-14)16-4-3-5-17(18)13(16)2/h3-5,8-12H,6-7,19H2,1-2H3.
What are the key properties of 4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine?
4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine has a molecular weight of 273.81 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine is sourced from PubChem (CID 82541745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).