N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine

C19H25N — CID 66481816

IUPACN-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C19H25N/c1-5-20-13-16-6-11-19(15(4)12-16)18-9-7-17(8-10-18)14(2)3/h6-12,14,20H,5,13H2,1-4H3
InChIKeyOANAPSPXESKWRL-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.89
Rot. Bonds5

About N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine

N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine (PubChem CID 66481816) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
PubChem CID66481816
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C19H25N/c1-5-20-13-16-6-11-19(15(4)12-16)18-9-7-17(8-10-18)14(2)3/h6-12,14,20H,5,13H2,1-4H3
InChIKeyOANAPSPXESKWRL-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
CID 66481817
N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine
CID 66479837
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 64985239
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
N-[[4-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106879378
N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine
CID 66479018
4-(ethylaminomethyl)-2-methylbenzaldehyde
CID 166723974
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine (CID 66481816) is N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine?
The InChIKey is OANAPSPXESKWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-20-13-16-6-11-19(15(4)12-16)18-9-7-17(8-10-18)14(2)3/h6-12,14,20H,5,13H2,1-4H3.
What are the key properties of N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine?
N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 66481816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).