1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine

C16H21Cl2N — CID 107309054

IUPAC1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(CC1=CCCCC1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H21Cl2N/c1-19-14(10-12-6-3-2-4-7-12)11-13-8-5-9-15(17)16(13)18/h5-6,8-9,14,19H,2-4,7,10-11H2,1H3
InChIKeyHJWOWRIAMJVAOI-UHFFFAOYSA-N
MW298.26 g/mol
LogP5.01
Rot. Bonds5

About 1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine

1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine (PubChem CID 107309054) has the molecular formula C16H21Cl2N and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine
PubChem CID107309054
Molecular FormulaC16H21Cl2N
Molecular Weight298.26 g/mol
Exact Mass297.11
IUPAC Name1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(CC1=CCCCC1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H21Cl2N/c1-19-14(10-12-6-3-2-4-7-12)11-13-8-5-9-15(17)16(13)18/h5-6,8-9,14,19H,2-4,7,10-11H2,1H3
InChIKeyHJWOWRIAMJVAOI-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.26
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 103049107
1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 116661499
4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 107312312
N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088
1-(5-bromo-2-methoxyphenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 116661454
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 116661541
1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine
CID 116661527
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 116661927
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 116661623

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine (CID 107309054) is 1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine is CNC(CC1=CCCCC1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine?
The InChIKey is HJWOWRIAMJVAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N/c1-19-14(10-12-6-3-2-4-7-12)11-13-8-5-9-15(17)16(13)18/h5-6,8-9,14,19H,2-4,7,10-11H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine?
1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine has a molecular weight of 298.26 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 107309054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).