3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline

C14H12Cl3N — CID 43106074

IUPAC3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl3N/c1-9(10-3-2-4-11(15)5-10)18-14-7-12(16)6-13(17)8-14/h2-9,18H,1H3
InChIKeyOMYYVMCIPGZFNW-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.82
Rot. Bonds3

About 3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline

3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline (PubChem CID 43106074) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
PubChem CID43106074
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl3N/c1-9(10-3-2-4-11(15)5-10)18-14-7-12(16)6-13(17)8-14/h2-9,18H,1H3
InChIKeyOMYYVMCIPGZFNW-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
CID 114052686
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
CID 43105622
N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine
CID 43539939
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline?
The IUPAC name of 3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline (CID 43106074) is 3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline is CC(Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline?
The InChIKey is OMYYVMCIPGZFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-9(10-3-2-4-11(15)5-10)18-14-7-12(16)6-13(17)8-14/h2-9,18H,1H3.
What are the key properties of 3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline?
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline has a molecular weight of 300.62 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline is sourced from PubChem (CID 43106074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).