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

C19H25N — CID 66480830

IUPACN-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
SMILESCCc1ccc(-c2ccc(CNC(C)C)cc2C)cc1
InChIInChI=1S/C19H25N/c1-5-16-6-9-18(10-7-16)19-11-8-17(12-15(19)4)13-20-14(2)3/h6-12,14,20H,5,13H2,1-4H3
InChIKeyGZMCXXOXSCDSTC-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.72
Rot. Bonds5

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

N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 66480830) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
PubChem CID66480830
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
SMILESCCc1ccc(-c2ccc(CNC(C)C)cc2C)cc1
InChIInChI=1S/C19H25N/c1-5-16-6-9-18(10-7-16)19-11-8-17(12-15(19)4)13-20-14(2)3/h6-12,14,20H,5,13H2,1-4H3
InChIKeyGZMCXXOXSCDSTC-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 66481601
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
CID 66481639
N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 79692007
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 66481816
N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 115503587
N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 105395728
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
CID 66481817
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408408

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine (CID 66480830) is N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine is CCc1ccc(-c2ccc(CNC(C)C)cc2C)cc1.
What is the InChIKey of N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is GZMCXXOXSCDSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-16-6-9-18(10-7-16)19-11-8-17(12-15(19)4)13-20-14(2)3/h6-12,14,20H,5,13H2,1-4H3.
What are the key properties of N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 66480830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).