1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine

C22H23N — CID 171059943

IUPAC1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
SMILESCc1ccc(CNCc2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H23N/c1-17-3-7-19(8-4-17)15-23-16-20-9-13-22(14-10-20)21-11-5-18(2)6-12-21/h3-14,23H,15-16H2,1-2H3
InChIKeyKHUIILGIXSXWKW-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.26
Rot. Bonds5

About 1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine

1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine (PubChem CID 171059943) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
PubChem CID171059943
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
SMILESCc1ccc(CNCc2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H23N/c1-17-3-7-19(8-4-17)15-23-16-20-9-13-22(14-10-20)21-11-5-18(2)6-12-21/h3-14,23H,15-16H2,1-2H3
InChIKeyKHUIILGIXSXWKW-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54443276
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
2-[(4-methylphenyl)methylamino]ethanethiol
CID 14306202
1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine
CID 91928103
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
CID 17332528
1-(4-methylphenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 29273379
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
CID 17332527
N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 122165798
2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine
CID 153375175

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine (CID 171059943) is 1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine is Cc1ccc(CNCc2ccc(-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine?
The InChIKey is KHUIILGIXSXWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-17-3-7-19(8-4-17)15-23-16-20-9-13-22(14-10-20)21-11-5-18(2)6-12-21/h3-14,23H,15-16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine?
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine has a molecular weight of 301.43 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine is sourced from PubChem (CID 171059943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).