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

C17H21N — CID 82542141

IUPAC4-[4-(3-methylphenyl)phenyl]butan-2-amine
SMILESCc1cccc(-c2ccc(CCC(C)N)cc2)c1
InChIInChI=1S/C17H21N/c1-13-4-3-5-17(12-13)16-10-8-15(9-11-16)7-6-14(2)18/h3-5,8-12,14H,6-7,18H2,1-2H3
InChIKeyLFCGRCJQUBKGGA-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.94
Rot. Bonds4

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

4-[4-(3-methylphenyl)phenyl]butan-2-amine (PubChem CID 82542141) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)phenyl]butan-2-amine
PubChem CID82542141
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name4-[4-(3-methylphenyl)phenyl]butan-2-amine
SMILESCc1cccc(-c2ccc(CCC(C)N)cc2)c1
InChIInChI=1S/C17H21N/c1-13-4-3-5-17(12-13)16-10-8-15(9-11-16)7-6-14(2)18/h3-5,8-12,14H,6-7,18H2,1-2H3
InChIKeyLFCGRCJQUBKGGA-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
3-[4-(3-methylphenyl)phenyl]propylphosphane
CID 143253756
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
(2R)-4-(6-methylnaphthalen-2-yl)butan-2-amine
CID 163572884
1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
CID 155693186
5-(3-methylphenyl)pentan-2-amine
CID 64502928
3-methyl-1-[4-(3-methylphenyl)phenyl]butan-2-one
CID 82541284
4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine
CID 82541745
(2S)-4-phenylbutan-2-amine
CID 6994564

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylphenyl)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(3-methylphenyl)phenyl]butan-2-amine (CID 82542141) is 4-[4-(3-methylphenyl)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(3-methylphenyl)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(3-methylphenyl)phenyl]butan-2-amine is Cc1cccc(-c2ccc(CCC(C)N)cc2)c1.
What is the InChIKey of 4-[4-(3-methylphenyl)phenyl]butan-2-amine?
The InChIKey is LFCGRCJQUBKGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13-4-3-5-17(12-13)16-10-8-15(9-11-16)7-6-14(2)18/h3-5,8-12,14H,6-7,18H2,1-2H3.
What are the key properties of 4-[4-(3-methylphenyl)phenyl]butan-2-amine?
4-[4-(3-methylphenyl)phenyl]butan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)phenyl]butan-2-amine is sourced from PubChem (CID 82542141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).