3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine

C14H19Cl2N — CID 139448349

IUPAC3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCCC(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-17(2)12-5-3-4-10(8-12)13-9-11(15)6-7-14(13)16/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyXQWUHGYPWJNATM-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.58
Rot. Bonds2

About 3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine

3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine (PubChem CID 139448349) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine
PubChem CID139448349
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCCC(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-17(2)12-5-3-4-10(8-12)13-9-11(15)6-7-14(13)16/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyXQWUHGYPWJNATM-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine (CID 139448349) is 3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine is CN(C)C1CCCC(c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine?
The InChIKey is XQWUHGYPWJNATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-17(2)12-5-3-4-10(8-12)13-9-11(15)6-7-14(13)16/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of 3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine?
3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 139448349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).