N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine

C19H25N — CID 66481228

IUPACN-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(C)c(-c2ccc(CNC(C)C)cc2C)c1
InChIInChI=1S/C19H25N/c1-13(2)20-12-17-8-9-18(16(5)11-17)19-10-14(3)6-7-15(19)4/h6-11,13,20H,12H2,1-5H3
InChIKeyAXKBJTSRHLBKJQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.78
Rot. Bonds4

About N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine

N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 66481228) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
PubChem CID66481228
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(C)c(-c2ccc(CNC(C)C)cc2C)c1
InChIInChI=1S/C19H25N/c1-13(2)20-12-17-8-9-18(16(5)11-17)19-10-14(3)6-7-15(19)4/h6-11,13,20H,12H2,1-5H3
InChIKeyAXKBJTSRHLBKJQ-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 115503587
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 79692007
N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105409340
N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 105395728
N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406580
N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 66481601

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine (CID 66481228) is N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine is Cc1ccc(C)c(-c2ccc(CNC(C)C)cc2C)c1.
What is the InChIKey of N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is AXKBJTSRHLBKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-13(2)20-12-17-8-9-18(16(5)11-17)19-10-14(3)6-7-15(19)4/h6-11,13,20H,12H2,1-5H3.
What are the key properties of N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 66481228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).