N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine

C16H18ClN — CID 29031068

IUPACN-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
SMILESCCc1ccc(CNCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN/c1-2-13-3-5-14(6-4-13)11-18-12-15-7-9-16(17)10-8-15/h3-10,18H,2,11-12H2,1H3
InChIKeyVWKYPZZKTZUIAI-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.19
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine

N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine (PubChem CID 29031068) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
PubChem CID29031068
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
SMILESCCc1ccc(CNCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN/c1-2-13-3-5-14(6-4-13)11-18-12-15-7-9-16(17)10-8-15/h3-10,18H,2,11-12H2,1H3
InChIKeyVWKYPZZKTZUIAI-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899463
N-[(4-chlorophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437532
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020
1-N-[(4-chlorophenyl)methyl]butane-1,2-diamine
CID 83960586
N'-[(4-chlorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215378
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-(4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103701879
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine
CID 110826506
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine (CID 29031068) is N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine is CCc1ccc(CNCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
The InChIKey is VWKYPZZKTZUIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-2-13-3-5-14(6-4-13)11-18-12-15-7-9-16(17)10-8-15/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine has a molecular weight of 259.78 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine is sourced from PubChem (CID 29031068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).