2-chloro-N-(1-phenylethyl)aniline

C14H14ClN — CID 14976481

IUPAC2-chloro-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C14H14ClN/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11,16H,1H3
InChIKeyFUWVSQBMDYXSMK-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.51
Rot. Bonds3

About 2-chloro-N-(1-phenylethyl)aniline

2-chloro-N-(1-phenylethyl)aniline (PubChem CID 14976481) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(1-phenylethyl)aniline
PubChem CID14976481
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name2-chloro-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C14H14ClN/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11,16H,1H3
InChIKeyFUWVSQBMDYXSMK-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylethyl)aniline?
The IUPAC name of 2-chloro-N-(1-phenylethyl)aniline (CID 14976481) is 2-chloro-N-(1-phenylethyl)aniline.
What is the SMILES notation for 2-chloro-N-(1-phenylethyl)aniline?
The canonical SMILES for 2-chloro-N-(1-phenylethyl)aniline is CC(Nc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(1-phenylethyl)aniline?
The InChIKey is FUWVSQBMDYXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11,16H,1H3.
What are the key properties of 2-chloro-N-(1-phenylethyl)aniline?
2-chloro-N-(1-phenylethyl)aniline has a molecular weight of 231.73 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-phenylethyl)aniline is sourced from PubChem (CID 14976481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).