1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol

C13H18ClNO — CID 121281370

IUPAC1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol
SMILESNC(c1cccc(Cl)c1)C1(O)CCCCC1
InChIInChI=1S/C13H18ClNO/c14-11-6-4-5-10(9-11)12(15)13(16)7-2-1-3-8-13/h4-6,9,12,16H,1-3,7-8,15H2
InChIKeyOKTLAAGJTTZGQS-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.04
Rot. Bonds2

About 1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol

1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol (PubChem CID 121281370) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol
PubChem CID121281370
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol
SMILESNC(c1cccc(Cl)c1)C1(O)CCCCC1
InChIInChI=1S/C13H18ClNO/c14-11-6-4-5-10(9-11)12(15)13(16)7-2-1-3-8-13/h4-6,9,12,16H,1-3,7-8,15H2
InChIKeyOKTLAAGJTTZGQS-UHFFFAOYSA-N
XLogP3.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-amino-(3-chlorophenyl)methyl]-4-fluorocyclohexan-1-ol
CID 121280886
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68853928
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
CID 104610685
1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol
CID 130055465
(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058711
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide
CID 14739989
(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
CID 63079140
1-[1-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexan-1-ol
CID 11717448
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
CID 91204468
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
1-[(3-chlorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79136424

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol (CID 121281370) is 1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol is NC(c1cccc(Cl)c1)C1(O)CCCCC1.
What is the InChIKey of 1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is OKTLAAGJTTZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-11-6-4-5-10(9-11)12(15)13(16)7-2-1-3-8-13/h4-6,9,12,16H,1-3,7-8,15H2.
What are the key properties of 1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol?
1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 239.75 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 121281370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).