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

C17H26ClNO — CID 63531958

IUPAC1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-4-19-13(3)14-7-10-17(16(18)11-14)20-15-8-5-12(2)6-9-15/h7,10-13,15,19H,4-6,8-9H2,1-3H3
InChIKeySXSXGVWODYAFFM-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.97
Rot. Bonds5

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

1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine (PubChem CID 63531958) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
PubChem CID63531958
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-4-19-13(3)14-7-10-17(16(18)11-14)20-15-8-5-12(2)6-9-15/h7,10-13,15,19H,4-6,8-9H2,1-3H3
InChIKeySXSXGVWODYAFFM-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63532113
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
CID 63557845
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910
(2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol
CID 122470677
N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine
CID 62911549
1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 113389754
4-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]piperidine
CID 86322273
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine
CID 64600992
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine (CID 63531958) is 1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine is CCNC(C)c1ccc(OC2CCC(C)CC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The InChIKey is SXSXGVWODYAFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-19-13(3)14-7-10-17(16(18)11-14)20-15-8-5-12(2)6-9-15/h7,10-13,15,19H,4-6,8-9H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine?
1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.97, 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-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine is sourced from PubChem (CID 63531958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).