2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine

C16H24ClNO — CID 116769828

IUPAC2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
SMILESCOC1(C(N)Cc2ccccc2Cl)CCCCCC1
InChIInChI=1S/C16H24ClNO/c1-19-16(10-6-2-3-7-11-16)15(18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12,18H2,1H3
InChIKeyVSCVJKHZTLSNHR-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.95
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine

2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine (PubChem CID 116769828) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
PubChem CID116769828
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
SMILESCOC1(C(N)Cc2ccccc2Cl)CCCCCC1
InChIInChI=1S/C16H24ClNO/c1-19-16(10-6-2-3-7-11-16)15(18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12,18H2,1H3
InChIKeyVSCVJKHZTLSNHR-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 107309137
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762517
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
[2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 102868227
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762679

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine (CID 116769828) is 2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine is COC1(C(N)Cc2ccccc2Cl)CCCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine?
The InChIKey is VSCVJKHZTLSNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-19-16(10-6-2-3-7-11-16)15(18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12,18H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine?
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine has a molecular weight of 281.83 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine is sourced from PubChem (CID 116769828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).