2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine

C16H24ClNO — CID 114340592

IUPAC2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine
SMILESCC1(C)CCC(OC(CN)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClNO/c1-16(2)8-6-14(7-9-16)19-15(11-18)12-4-3-5-13(17)10-12/h3-5,10,14-15H,6-9,11,18H2,1-2H3
InChIKeyBCYWJDMYPJYDFH-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.33
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine

2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine (PubChem CID 114340592) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine
PubChem CID114340592
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine
SMILESCC1(C)CCC(OC(CN)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClNO/c1-16(2)8-6-14(7-9-16)19-15(11-18)12-4-3-5-13(17)10-12/h3-5,10,14-15H,6-9,11,18H2,1-2H3
InChIKeyBCYWJDMYPJYDFH-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63559032
1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772471
1-[1-(4,4-dimethylcyclohexyl)oxy-2-iodoethyl]-3-methylbenzene
CID 114775187
ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate
CID 148697514
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724920
1-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 65390440
2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
CID 55019612
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
CID 114208280
2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216309

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine (CID 114340592) is 2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine is CC1(C)CCC(OC(CN)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine?
The InChIKey is BCYWJDMYPJYDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-16(2)8-6-14(7-9-16)19-15(11-18)12-4-3-5-13(17)10-12/h3-5,10,14-15H,6-9,11,18H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine?
2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine is sourced from PubChem (CID 114340592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).