[1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine

C13H17ClFNO — CID 82132436

IUPAC[1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine
SMILESNCC1(Oc2ccc(F)cc2Cl)CCCCC1
InChIInChI=1S/C13H17ClFNO/c14-11-8-10(15)4-5-12(11)17-13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9,16H2
InChIKeyNVXBGQTYMADAIZ-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.52
Rot. Bonds3

About [1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine

[1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine (PubChem CID 82132436) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is [1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine
PubChem CID82132436
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name[1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine
SMILESNCC1(Oc2ccc(F)cc2Cl)CCCCC1
InChIInChI=1S/C13H17ClFNO/c14-11-8-10(15)4-5-12(11)17-13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9,16H2
InChIKeyNVXBGQTYMADAIZ-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,4-difluorophenoxy)cyclohexyl]methanol
CID 82130117
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119564877
2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid
CID 107140808
[1-(2,3-dichlorophenoxy)cyclopropyl]methanamine
CID 83920752
[1-(2-tert-butylphenoxy)cyclohexyl]methanamine
CID 82133148
[1-(4-fluorophenoxy)cyclopropyl]methanamine
CID 83920748
1-[1-(aminomethyl)cycloheptyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116602151
3-chloro-1-(2-chloro-4-fluorophenoxy)spiro[3.6]decane
CID 66345162
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868038
[1-(4-ethylphenoxy)cyclohexyl]methanamine
CID 82129126

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine (CID 82132436) is [1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine is NCC1(Oc2ccc(F)cc2Cl)CCCCC1.
What is the InChIKey of [1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine?
The InChIKey is NVXBGQTYMADAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-11-8-10(15)4-5-12(11)17-13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9,16H2.
What are the key properties of [1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine?
[1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine has a molecular weight of 257.74 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 82132436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).