2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine

C15H21Cl2N — CID 55197274

IUPAC2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N/c1-2-18-15-7-5-3-4-6-12(15)11-8-9-13(16)14(17)10-11/h8-10,12,15,18H,2-7H2,1H3
InChIKeyKAEZOUVUCUFVPW-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.02
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine

2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine (PubChem CID 55197274) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
PubChem CID55197274
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N/c1-2-18-15-7-5-3-4-6-12(15)11-8-9-13(16)14(17)10-11/h8-10,12,15,18H,2-7H2,1H3
InChIKeyKAEZOUVUCUFVPW-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
N-ethyl-2-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 55194988
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
CID 63511493
N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 63509813
N-ethyl-2-quinolin-7-ylcycloheptan-1-amine
CID 81224624
2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine
CID 105395830
N-ethyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 62604410
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine
CID 62801783
2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine
CID 62802621
N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
CID 116545575

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine (CID 55197274) is 2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine?
The InChIKey is KAEZOUVUCUFVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-18-15-7-5-3-4-6-12(15)11-8-9-13(16)14(17)10-11/h8-10,12,15,18H,2-7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine?
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 55197274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).