2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine

C16H23Cl2N — CID 63403409

IUPAC2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H23Cl2N/c1-2-4-11-7-8-16(19)12(9-11)10-13-14(17)5-3-6-15(13)18/h3,5-6,11-12,16H,2,4,7-10,19H2,1H3
InChIKeyWKWTYYNCNYAMMC-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.08
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine

2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 63403409) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID63403409
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H23Cl2N/c1-2-4-11-7-8-16(19)12(9-11)10-13-14(17)5-3-6-15(13)18/h3,5-6,11-12,16H,2,4,7-10,19H2,1H3
InChIKeyWKWTYYNCNYAMMC-UHFFFAOYSA-N
XLogP5.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine (CID 63403409) is 2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is WKWTYYNCNYAMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-4-11-7-8-16(19)12(9-11)10-13-14(17)5-3-6-15(13)18/h3,5-6,11-12,16H,2,4,7-10,19H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine?
2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63403409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).