N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline

C16H18ClN — CID 114250155

IUPACN-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
SMILESCCc1cc(NCc2ccccc2Cl)ccc1C
InChIInChI=1S/C16H18ClN/c1-3-13-10-15(9-8-12(13)2)18-11-14-6-4-5-7-16(14)17/h4-10,18H,3,11H2,1-2H3
InChIKeyHLZHKQTUXYMGPT-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.82
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline

N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline (PubChem CID 114250155) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
PubChem CID114250155
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
SMILESCCc1cc(NCc2ccccc2Cl)ccc1C
InChIInChI=1S/C16H18ClN/c1-3-13-10-15(9-8-12(13)2)18-11-14-6-4-5-7-16(14)17/h4-10,18H,3,11H2,1-2H3
InChIKeyHLZHKQTUXYMGPT-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-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 43744735
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline
CID 113355959
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 115376609
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
4-[(2-chlorophenyl)methylamino]phenol
CID 18778398
N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
3-chloro-N-[(2-methylphenyl)methyl]aniline
CID 28513469
N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250110
N-[(2-chlorophenyl)methyl]quinoxalin-6-amine
CID 54863546

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline (CID 114250155) is N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline is CCc1cc(NCc2ccccc2Cl)ccc1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline?
The InChIKey is HLZHKQTUXYMGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-3-13-10-15(9-8-12(13)2)18-11-14-6-4-5-7-16(14)17/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline?
N-[(2-chlorophenyl)methyl]-3-ethyl-4-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-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline is sourced from PubChem (CID 114250155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).