1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine

C14H18ClN — CID 63655696

IUPAC1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine
SMILESC#CCCC(Cc1ccccc1Cl)NCC
InChIInChI=1S/C14H18ClN/c1-3-5-9-13(16-4-2)11-12-8-6-7-10-14(12)15/h1,6-8,10,13,16H,4-5,9,11H2,2H3
InChIKeyCKUUCKNATOEZOT-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.27
Rot. Bonds6

About 1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine

1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine (PubChem CID 63655696) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine
PubChem CID63655696
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine
SMILESC#CCCC(Cc1ccccc1Cl)NCC
InChIInChI=1S/C14H18ClN/c1-3-5-9-13(16-4-2)11-12-8-6-7-10-14(12)15/h1,6-8,10,13,16H,4-5,9,11H2,2H3
InChIKeyCKUUCKNATOEZOT-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine
CID 105179696
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63415187
1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63415364
1-(4-bromophenyl)-N-ethylhex-5-yn-2-amine
CID 63656102
N-ethyl-1-phenylsulfanylhex-5-yn-2-amine
CID 65143383
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455278
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine (CID 63655696) is 1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine is C#CCCC(Cc1ccccc1Cl)NCC.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine?
The InChIKey is CKUUCKNATOEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-3-5-9-13(16-4-2)11-12-8-6-7-10-14(12)15/h1,6-8,10,13,16H,4-5,9,11H2,2H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine?
1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine has a molecular weight of 235.76 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine is sourced from PubChem (CID 63655696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).