1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine

C16H24ClNO — CID 62912238

IUPAC1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC2CCCCC2C)c(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-11-6-4-5-7-15(11)19-16-9-8-13(10-14(16)17)12(2)18-3/h8-12,15,18H,4-7H2,1-3H3
InChIKeyGJZSYXZHNRUOFK-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.58
Rot. Bonds4

About 1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine

1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine (PubChem CID 62912238) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine
PubChem CID62912238
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC2CCCCC2C)c(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-11-6-4-5-7-15(11)19-16-9-8-13(10-14(16)17)12(2)18-3/h8-12,15,18H,4-7H2,1-3H3
InChIKeyGJZSYXZHNRUOFK-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937737
(1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 63370510
3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde
CID 81146297
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740312
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63531958
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)-N-methylethanamine
CID 142399949
1-[3-chloro-4-(2,3,6-trimethylphenoxy)phenyl]-N-methylethanamine
CID 63533324
1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine (CID 62912238) is 1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine is CNC(C)c1ccc(OC2CCCCC2C)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine?
The InChIKey is GJZSYXZHNRUOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11-6-4-5-7-15(11)19-16-9-8-13(10-14(16)17)12(2)18-3/h8-12,15,18H,4-7H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine?
1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine is sourced from PubChem (CID 62912238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).