1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine

C17H26ClNO — CID 63532897

IUPAC1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCCCCC2)c(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-3-19-13(2)14-10-11-17(16(18)12-14)20-15-8-6-4-5-7-9-15/h10-13,15,19H,3-9H2,1-2H3
InChIKeyHTPJSSUOQNPDME-UHFFFAOYSA-N
MW295.85 g/mol
LogP5.11
Rot. Bonds5

About 1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine

1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine (PubChem CID 63532897) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
PubChem CID63532897
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCCCCC2)c(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-3-19-13(2)14-10-11-17(16(18)12-14)20-15-8-6-4-5-7-9-15/h10-13,15,19H,3-9H2,1-2H3
InChIKeyHTPJSSUOQNPDME-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.85
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63531958
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
CID 63557845
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910
1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
CID 63532172
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63532113
2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63533268
N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine
CID 66323711

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine (CID 63532897) is 1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine is CCNC(C)c1ccc(OC2CCCCCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine?
The InChIKey is HTPJSSUOQNPDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-19-13(2)14-10-11-17(16(18)12-14)20-15-8-6-4-5-7-9-15/h10-13,15,19H,3-9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine?
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine has a molecular weight of 295.85 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 63532897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).