N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine

C14H19Cl2N — CID 43078885

IUPACN-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-10(17-12-5-3-2-4-6-12)11-7-8-13(15)14(16)9-11/h7-10,12,17H,2-6H2,1H3
InChIKeyITIHAWJJMPNRAE-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.98
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine

N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine (PubChem CID 43078885) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
PubChem CID43078885
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-10(17-12-5-3-2-4-6-12)11-7-8-13(15)14(16)9-11/h7-10,12,17H,2-6H2,1H3
InChIKeyITIHAWJJMPNRAE-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107447869
N-[1-(3,4-dichlorophenyl)ethyl]thian-4-amine
CID 43394908
N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
CID 43608497
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223783
N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429583
N-[1-(3,4-dichlorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43082206
N-[1-(4-tert-butylphenyl)ethyl]cycloheptanamine
CID 43095672
N-(1-naphthalen-2-ylethyl)cyclohexanamine
CID 43080679
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
CID 43094735
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine (CID 43078885) is N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine is CC(NC1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine?
The InChIKey is ITIHAWJJMPNRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10(17-12-5-3-2-4-6-12)11-7-8-13(15)14(16)9-11/h7-10,12,17H,2-6H2,1H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine?
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine has a molecular weight of 272.22 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine is sourced from PubChem (CID 43078885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).