N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine

C11H12ClN — CID 60687940

IUPACN-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN/c1-2-8-13-9-7-10-3-5-11(12)6-4-10/h1,3-6,13H,7-9H2
InChIKeyKZILJKATPZTEOL-UHFFFAOYSA-N
MW193.68 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine

N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine (PubChem CID 60687940) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine
PubChem CID60687940
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN/c1-2-8-13-9-7-10-3-5-11(12)6-4-10/h1,3-6,13H,7-9H2
InChIKeyKZILJKATPZTEOL-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 71627764
N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride
CID 17332734
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
N,N'-bis[2-(4-chlorophenyl)ethyl]octane-1,8-diamine;dihydrobromide
CID 3029595
N,N'-bis[2-(4-chlorophenyl)ethyl]hexane-1,6-diamine;dihydrobromide
CID 3028564
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]prop-2-yn-1-amine
CID 62574146
N'-[2-(4-chlorophenyl)ethyl]butane-1,4-diamine
CID 83961338
2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 60687979
5-(4-methylphenyl)-N-prop-2-ynylpentan-1-amine
CID 123635009
3-[2-(prop-2-ynylamino)ethyl]phenol
CID 10921791
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine
CID 114200118

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine (CID 60687940) is N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine is C#CCNCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine?
The InChIKey is KZILJKATPZTEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-2-8-13-9-7-10-3-5-11(12)6-4-10/h1,3-6,13H,7-9H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine?
N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine has a molecular weight of 193.68 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 60687940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).