1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine

C18H23N — CID 63423811

IUPAC1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H23N/c1-5-18(19-4)16-8-6-15(7-9-16)17-11-13(2)10-14(3)12-17/h6-12,18-19H,5H2,1-4H3
InChIKeyDKVRZECDGLLPCS-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.64
Rot. Bonds4

About 1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine

1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine (PubChem CID 63423811) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
PubChem CID63423811
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H23N/c1-5-18(19-4)16-8-6-15(7-9-16)17-11-13(2)10-14(3)12-17/h6-12,18-19H,5H2,1-4H3
InChIKeyDKVRZECDGLLPCS-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
CID 54912003
1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
CID 61227636
N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine
CID 105350097
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
CID 63424700
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
N-methyl-1-[4-(4-methyl-3-pyridinyl)phenyl]propan-1-amine
CID 66274011
1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine
CID 113324609
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine (CID 63423811) is 1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is DKVRZECDGLLPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-5-18(19-4)16-8-6-15(7-9-16)17-11-13(2)10-14(3)12-17/h6-12,18-19H,5H2,1-4H3.
What are the key properties of 1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine?
1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 63423811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).