N-(5-chloro-2-ethoxyphenyl)cycloheptanamine

C15H22ClNO — CID 55191401

IUPACN-(5-chloro-2-ethoxyphenyl)cycloheptanamine
SMILESCCOc1ccc(Cl)cc1NC1CCCCCC1
InChIInChI=1S/C15H22ClNO/c1-2-18-15-10-9-12(16)11-14(15)17-13-7-5-3-4-6-8-13/h9-11,13,17H,2-8H2,1H3
InChIKeyZKMSNZHYSVIGDI-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.87
Rot. Bonds4

About N-(5-chloro-2-ethoxyphenyl)cycloheptanamine

N-(5-chloro-2-ethoxyphenyl)cycloheptanamine (PubChem CID 55191401) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)cycloheptanamine.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)cycloheptanamine
PubChem CID55191401
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(5-chloro-2-ethoxyphenyl)cycloheptanamine
SMILESCCOc1ccc(Cl)cc1NC1CCCCCC1
InChIInChI=1S/C15H22ClNO/c1-2-18-15-10-9-12(16)11-14(15)17-13-7-5-3-4-6-8-13/h9-11,13,17H,2-8H2,1H3
InChIKeyZKMSNZHYSVIGDI-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclohexyl-2-propoxyaniline
CID 63453197
N-(5-chloro-2-ethoxyphenyl)oxan-4-amine
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1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
N-(5-chloro-2-propoxyphenyl)piperidin-4-amine
CID 54907041
5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63450861
5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline
CID 65046198
5-chloro-N-(dicyclopropylmethyl)-2-ethoxyaniline
CID 54865533
5-chloro-N-(3-methylcyclohexyl)-2-propoxyaniline
CID 63452896
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
N-(3-bromo-5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 43690709
N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364394
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)cycloheptanamine?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)cycloheptanamine (CID 55191401) is N-(5-chloro-2-ethoxyphenyl)cycloheptanamine.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)cycloheptanamine?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)cycloheptanamine is CCOc1ccc(Cl)cc1NC1CCCCCC1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)cycloheptanamine?
The InChIKey is ZKMSNZHYSVIGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-18-15-10-9-12(16)11-14(15)17-13-7-5-3-4-6-8-13/h9-11,13,17H,2-8H2,1H3.
What are the key properties of N-(5-chloro-2-ethoxyphenyl)cycloheptanamine?
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine has a molecular weight of 267.80 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)cycloheptanamine is sourced from PubChem (CID 55191401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).