N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine

C18H23N — CID 105408477

IUPACN-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cccc(-c2cc(CNC(C)C)ccc2C)c1
InChIInChI=1S/C18H23N/c1-13(2)19-12-16-9-8-15(4)18(11-16)17-7-5-6-14(3)10-17/h5-11,13,19H,12H2,1-4H3
InChIKeySIFDOOXLAPVDJR-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.47
Rot. Bonds4

About N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine

N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 105408477) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
PubChem CID105408477
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cccc(-c2cc(CNC(C)C)ccc2C)c1
InChIInChI=1S/C18H23N/c1-13(2)19-12-16-9-8-15(4)18(11-16)17-7-5-6-14(3)10-17/h5-11,13,19H,12H2,1-4H3
InChIKeySIFDOOXLAPVDJR-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-methyl-2-(3-methylphenyl)benzene
CID 91311090
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408408
N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105409340
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine
CID 105409478

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine (CID 105408477) is N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine is Cc1cccc(-c2cc(CNC(C)C)ccc2C)c1.
What is the InChIKey of N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is SIFDOOXLAPVDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13(2)19-12-16-9-8-15(4)18(11-16)17-7-5-6-14(3)10-17/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine?
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 105408477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).