1,4-bis(3-methylphenyl)butan-2-amine

C18H23N — CID 62390102

IUPAC1,4-bis(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(N)Cc2cccc(C)c2)c1
InChIInChI=1S/C18H23N/c1-14-5-3-7-16(11-14)9-10-18(19)13-17-8-4-6-15(2)12-17/h3-8,11-12,18H,9-10,13,19H2,1-2H3
InChIKeyJDYPPFVBWIZIRY-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.81
Rot. Bonds5

About 1,4-bis(3-methylphenyl)butan-2-amine

1,4-bis(3-methylphenyl)butan-2-amine (PubChem CID 62390102) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1,4-bis(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1,4-bis(3-methylphenyl)butan-2-amine
PubChem CID62390102
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1,4-bis(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(N)Cc2cccc(C)c2)c1
InChIInChI=1S/C18H23N/c1-14-5-3-7-16(11-14)9-10-18(19)13-17-8-4-6-15(2)12-17/h3-8,11-12,18H,9-10,13,19H2,1-2H3
InChIKeyJDYPPFVBWIZIRY-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine
CID 105177799
1-(4-chloro-3-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 107892082
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879
4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine
CID 62367106
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
5,7-dimethyl-1-(3-methylphenyl)octan-3-amine
CID 114201728
6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine
CID 113326992
1-(2-chloro-4-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 105133510
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
CID 105160252
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
CID 105158909

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-methylphenyl)butan-2-amine?
The IUPAC name of 1,4-bis(3-methylphenyl)butan-2-amine (CID 62390102) is 1,4-bis(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1,4-bis(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1,4-bis(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(N)Cc2cccc(C)c2)c1.
What is the InChIKey of 1,4-bis(3-methylphenyl)butan-2-amine?
The InChIKey is JDYPPFVBWIZIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-5-3-7-16(11-14)9-10-18(19)13-17-8-4-6-15(2)12-17/h3-8,11-12,18H,9-10,13,19H2,1-2H3.
What are the key properties of 1,4-bis(3-methylphenyl)butan-2-amine?
1,4-bis(3-methylphenyl)butan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 62390102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).