N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline

C16H18ClN — CID 114250109

IUPACN-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline
SMILESCCc1ccc(NCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H18ClN/c1-3-14-6-9-16(10-12(14)2)18-11-13-4-7-15(17)8-5-13/h4-10,18H,3,11H2,1-2H3
InChIKeyAXEXUJFDBPECIP-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.82
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline

N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline (PubChem CID 114250109) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline
PubChem CID114250109
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline
SMILESCCc1ccc(NCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H18ClN/c1-3-14-6-9-16(10-12(14)2)18-11-13-4-7-15(17)8-5-13/h4-10,18H,3,11H2,1-2H3
InChIKeyAXEXUJFDBPECIP-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250110
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114078614
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
3-[4-(benzylamino)-2-methylphenyl]propanal
CID 57043573
3-[4-(benzylamino)-2-methylphenyl]propanoic acid
CID 70074103

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline (CID 114250109) is N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline is CCc1ccc(NCc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline?
The InChIKey is AXEXUJFDBPECIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-3-14-6-9-16(10-12(14)2)18-11-13-4-7-15(17)8-5-13/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline?
N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline has a molecular weight of 259.78 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline is sourced from PubChem (CID 114250109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).