4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline

C16H18ClN — CID 43097496

IUPAC4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H18ClN/c1-11-4-9-16(12(2)10-11)13(3)18-15-7-5-14(17)6-8-15/h4-10,13,18H,1-3H3
InChIKeyPZFPSUFGMPSHKR-UHFFFAOYSA-N
MW259.78 g/mol
LogP5.13
Rot. Bonds3

About 4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline

4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline (PubChem CID 43097496) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
PubChem CID43097496
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H18ClN/c1-11-4-9-16(12(2)10-11)13(3)18-15-7-5-14(17)6-8-15/h4-10,13,18H,1-3H3
InChIKeyPZFPSUFGMPSHKR-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.78
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline
CID 43098508
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982
4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43103984
(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 81352684
1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea
CID 94841865
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
N-[1-(2,4-dimethylphenyl)ethyl]-1,3-benzodioxol-5-amine
CID 43196985
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43742646
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline (CID 43097496) is 4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The InChIKey is PZFPSUFGMPSHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-4-9-16(12(2)10-11)13(3)18-15-7-5-14(17)6-8-15/h4-10,13,18H,1-3H3.
What are the key properties of 4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline has a molecular weight of 259.78 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43097496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).