N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine

C18H23N — CID 105409508

IUPACN-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
SMILESCCCc1cccc(-c2cc(CNC)ccc2C)c1
InChIInChI=1S/C18H23N/c1-4-6-15-7-5-8-17(11-15)18-12-16(13-19-3)10-9-14(18)2/h5,7-12,19H,4,6,13H2,1-3H3
InChIKeyJSXXEJUIHCNWRR-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.33
Rot. Bonds5

About N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine

N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine (PubChem CID 105409508) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
PubChem CID105409508
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
SMILESCCCc1cccc(-c2cc(CNC)ccc2C)c1
InChIInChI=1S/C18H23N/c1-4-6-15-7-5-8-17(11-15)18-12-16(13-19-3)10-9-14(18)2/h5,7-12,19H,4,6,13H2,1-3H3
InChIKeyJSXXEJUIHCNWRR-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545345
1,4-dimethyl-2-(3-propylphenyl)benzene
CID 173395390
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine
CID 105409209
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545376
N-methyl-1-[3-methyl-4-(3-methylphenyl)phenyl]methanamine
CID 66480423
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
CID 105408323
1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 106646455
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine (CID 105409508) is N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine is CCCc1cccc(-c2cc(CNC)ccc2C)c1.
What is the InChIKey of N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine?
The InChIKey is JSXXEJUIHCNWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-6-15-7-5-8-17(11-15)18-12-16(13-19-3)10-9-14(18)2/h5,7-12,19H,4,6,13H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine?
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine has a molecular weight of 253.39 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine is sourced from PubChem (CID 105409508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).