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

C16H23Cl2N — CID 63407468

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H23Cl2N/c1-2-4-12-7-9-16(19,10-8-12)11-13-14(17)5-3-6-15(13)18/h3,5-6,12H,2,4,7-11,19H2,1H3
InChIKeyYUXNBOGJRXKAOX-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.22
Rot. Bonds4

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

1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 63407468) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID63407468
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H23Cl2N/c1-2-4-12-7-9-16(19,10-8-12)11-13-14(17)5-3-6-15(13)18/h3,5-6,12H,2,4,7-11,19H2,1H3
InChIKeyYUXNBOGJRXKAOX-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine (CID 63407468) is 1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is YUXNBOGJRXKAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-4-12-7-9-16(19,10-8-12)11-13-14(17)5-3-6-15(13)18/h3,5-6,12H,2,4,7-11,19H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine?
1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63407468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).