1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine

C16H24ClNO — CID 55014714

IUPAC1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine
SMILESCCC(N)C(OC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-2-15(18)16(12-8-10-13(17)11-9-12)19-14-6-4-3-5-7-14/h8-11,14-16H,2-7,18H2,1H3
InChIKeyKFVKSFVQJXXXAJ-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.47
Rot. Bonds5

About 1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine

1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine (PubChem CID 55014714) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine
PubChem CID55014714
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine
SMILESCCC(N)C(OC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-2-15(18)16(12-8-10-13(17)11-9-12)19-14-6-4-3-5-7-14/h8-11,14-16H,2-7,18H2,1H3
InChIKeyKFVKSFVQJXXXAJ-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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US9120771, Khg26769
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine (CID 55014714) is 1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine is CCC(N)C(OC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine?
The InChIKey is KFVKSFVQJXXXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-15(18)16(12-8-10-13(17)11-9-12)19-14-6-4-3-5-7-14/h8-11,14-16H,2-7,18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine?
1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine is sourced from PubChem (CID 55014714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).