1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine

C17H26ClNO — CID 114322036

IUPAC1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1OCC1CCCCC1
InChIInChI=1S/C17H26ClNO/c1-2-14(19)11-15-16(18)9-6-10-17(15)20-12-13-7-4-3-5-8-13/h6,9-10,13-14H,2-5,7-8,11-12,19H2,1H3
InChIKeyAYNOSDNKTJYYBJ-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.58
Rot. Bonds6

About 1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine

1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine (PubChem CID 114322036) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
PubChem CID114322036
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1OCC1CCCCC1
InChIInChI=1S/C17H26ClNO/c1-2-14(19)11-15-16(18)9-6-10-17(15)20-12-13-7-4-3-5-8-13/h6,9-10,13-14H,2-5,7-8,11-12,19H2,1H3
InChIKeyAYNOSDNKTJYYBJ-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63815860
1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine
CID 114322092
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
1-[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 114322152
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 114321998
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
1-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79168840

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine (CID 114322036) is 1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1c(Cl)cccc1OCC1CCCCC1.
What is the InChIKey of 1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine?
The InChIKey is AYNOSDNKTJYYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-2-14(19)11-15-16(18)9-6-10-17(15)20-12-13-7-4-3-5-8-13/h6,9-10,13-14H,2-5,7-8,11-12,19H2,1H3.
What are the key properties of 1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine?
1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine has a molecular weight of 295.85 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 114322036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).