1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine

C16H24ClNO — CID 55066579

IUPAC1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
SMILESCC(N)C(OCC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-12(18)16(14-9-5-6-10-15(14)17)19-11-13-7-3-2-4-8-13/h5-6,9-10,12-13,16H,2-4,7-8,11,18H2,1H3
InChIKeyQMMXLFYLNJITDE-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.33
Rot. Bonds5

About 1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine

1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine (PubChem CID 55066579) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
PubChem CID55066579
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
SMILESCC(N)C(OCC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-12(18)16(14-9-5-6-10-15(14)17)19-11-13-7-3-2-4-8-13/h5-6,9-10,12-13,16H,2-4,7-8,11,18H2,1H3
InChIKeyQMMXLFYLNJITDE-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
1-(2-chlorophenyl)-1-cyclopentyloxypropan-2-amine
CID 55022905
1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62382003
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine
CID 63457119
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 62382399
1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine
CID 55019249
1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283025
1-[1-(cyclohexylmethoxy)-2-iodoethyl]-2-methylbenzene
CID 114773988
1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 62384395

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine (CID 55066579) is 1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine is CC(N)C(OCC1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine?
The InChIKey is QMMXLFYLNJITDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(18)16(14-9-5-6-10-15(14)17)19-11-13-7-3-2-4-8-13/h5-6,9-10,12-13,16H,2-4,7-8,11,18H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine?
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine is sourced from PubChem (CID 55066579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).