2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine

C15H22ClNO — CID 62383668

IUPAC2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
SMILESNCC(OCC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c16-14-8-4-7-13(9-14)15(10-17)18-11-12-5-2-1-3-6-12/h4,7-9,12,15H,1-3,5-6,10-11,17H2
InChIKeyVJMLMVOWBHXQAP-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.94
Rot. Bonds5

About 2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine

2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine (PubChem CID 62383668) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
PubChem CID62383668
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
SMILESNCC(OCC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c16-14-8-4-7-13(9-14)15(10-17)18-11-12-5-2-1-3-6-12/h4,7-9,12,15H,1-3,5-6,10-11,17H2
InChIKeyVJMLMVOWBHXQAP-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008
2-(cyclohexylmethoxy)-2-(3-methoxyphenyl)ethanamine
CID 62383844
2-(4-chlorophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66322375
2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
CID 62107327
2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine
CID 114192546
N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 55036275
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586
1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772471
2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine
CID 66321305
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
CID 114208280
1-[2-bromo-1-(cyclohexylmethoxy)ethyl]-3-methylbenzene
CID 55193250
2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine
CID 114340592

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine (CID 62383668) is 2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine is NCC(OCC1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine?
The InChIKey is VJMLMVOWBHXQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-14-8-4-7-13(9-14)15(10-17)18-11-12-5-2-1-3-6-12/h4,7-9,12,15H,1-3,5-6,10-11,17H2.
What are the key properties of 2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine?
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine has a molecular weight of 267.80 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine is sourced from PubChem (CID 62383668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).