[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol

C14H19ClFNO — CID 79134631

IUPAC[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol
SMILESNCC1(C(O)c2c(F)cccc2Cl)CCCCC1
InChIInChI=1S/C14H19ClFNO/c15-10-5-4-6-11(16)12(10)13(18)14(9-17)7-2-1-3-8-14/h4-6,13,18H,1-3,7-9,17H2
InChIKeyQVNBVDDYFBUWLW-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.42
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol

[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol (PubChem CID 79134631) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol
PubChem CID79134631
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol
SMILESNCC1(C(O)c2c(F)cccc2Cl)CCCCC1
InChIInChI=1S/C14H19ClFNO/c15-10-5-4-6-11(16)12(10)13(18)14(9-17)7-2-1-3-8-14/h4-6,13,18H,1-3,7-9,17H2
InChIKeyQVNBVDDYFBUWLW-UHFFFAOYSA-N
XLogP3.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3-ethylcyclopentyl]-(2-chloro-6-fluorophenyl)methanol
CID 79135009
[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol
CID 79137858
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol
CID 79135535
[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol
CID 79135807
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448325
[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
CID 79137587
3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484
[(2-chloro-6-fluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 114275469
[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol
CID 79137693

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol (CID 79134631) is [1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol is NCC1(C(O)c2c(F)cccc2Cl)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol?
The InChIKey is QVNBVDDYFBUWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-10-5-4-6-11(16)12(10)13(18)14(9-17)7-2-1-3-8-14/h4-6,13,18H,1-3,7-9,17H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol?
[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol has a molecular weight of 271.76 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol is sourced from PubChem (CID 79134631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).