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

C17H26ClNO — CID 63461230

IUPAC1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine
SMILESCCC(N)C(OC1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO/c1-2-16(19)17(13-9-11-14(18)12-10-13)20-15-7-5-3-4-6-8-15/h9-12,15-17H,2-8,19H2,1H3
InChIKeyWKPDBVHQAVKFMG-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.86
Rot. Bonds5

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

1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine (PubChem CID 63461230) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine
PubChem CID63461230
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine
SMILESCCC(N)C(OC1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO/c1-2-16(19)17(13-9-11-14(18)12-10-13)20-15-7-5-3-4-6-8-15/h9-12,15-17H,2-8,19H2,1H3
InChIKeyWKPDBVHQAVKFMG-UHFFFAOYSA-N
XLogP4.86
TPSA35.25 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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine
CID 55014714
1-(4-chlorophenyl)-1-cyclohexyloxypropan-2-amine
CID 55015439
1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine
CID 62115253
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597
1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine
CID 62116806
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
1-cyclohexyloxy-1-phenylpropan-2-amine
CID 55017556
1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine
CID 63457116
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
1-(4-chlorophenyl)-1-[3-(2-methoxyethoxy)propoxy]butan-2-amine
CID 103401321
1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine
CID 63624404

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine (CID 63461230) is 1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine is CCC(N)C(OC1CCCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine?
The InChIKey is WKPDBVHQAVKFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-2-16(19)17(13-9-11-14(18)12-10-13)20-15-7-5-3-4-6-8-15/h9-12,15-17H,2-8,19H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine?
1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine has a molecular weight of 295.85 g/mol, XLogP of 4.86, 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-cycloheptyloxybutan-2-amine is sourced from PubChem (CID 63461230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).