2-[2-(3-chloropropyl)phenyl]ethanamine

C11H16ClN — CID 67894995

IUPAC2-[2-(3-chloropropyl)phenyl]ethanamine
SMILESNCCc1ccccc1CCCCl
InChIInChI=1S/C11H16ClN/c12-8-3-6-10-4-1-2-5-11(10)7-9-13/h1-2,4-5H,3,6-9,13H2
InChIKeyCMCTVRNXFVXCRT-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.36
Rot. Bonds5

About 2-[2-(3-chloropropyl)phenyl]ethanamine

2-[2-(3-chloropropyl)phenyl]ethanamine (PubChem CID 67894995) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-[2-(3-chloropropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-chloropropyl)phenyl]ethanamine
PubChem CID67894995
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-[2-(3-chloropropyl)phenyl]ethanamine
SMILESNCCc1ccccc1CCCCl
InChIInChI=1S/C11H16ClN/c12-8-3-6-10-4-1-2-5-11(10)7-9-13/h1-2,4-5H,3,6-9,13H2
InChIKeyCMCTVRNXFVXCRT-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol
CID 54528476
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
2-(3-chloropropyl)benzamide
CID 135741565
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
CID 89018260
CID 89018260
1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-(2-iodophenyl)ethanamine;hydrochloride
CID 20517474
2-(2-methanidylphenyl)ethanamine;palladium
CID 175142647

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloropropyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(3-chloropropyl)phenyl]ethanamine (CID 67894995) is 2-[2-(3-chloropropyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(3-chloropropyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(3-chloropropyl)phenyl]ethanamine is NCCc1ccccc1CCCCl.
What is the InChIKey of 2-[2-(3-chloropropyl)phenyl]ethanamine?
The InChIKey is CMCTVRNXFVXCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c12-8-3-6-10-4-1-2-5-11(10)7-9-13/h1-2,4-5H,3,6-9,13H2.
What are the key properties of 2-[2-(3-chloropropyl)phenyl]ethanamine?
2-[2-(3-chloropropyl)phenyl]ethanamine has a molecular weight of 197.71 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloropropyl)phenyl]ethanamine is sourced from PubChem (CID 67894995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).