(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine

C13H17Cl2NO — CID 43515648

IUPAC(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OC1CCCCC1
InChIInChI=1S/C13H17Cl2NO/c14-10-6-9(8-16)13(12(15)7-10)17-11-4-2-1-3-5-11/h6-7,11H,1-5,8,16H2
InChIKeyQAZLBMYEMPMNEG-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.16
Rot. Bonds3

About (3,5-dichloro-2-cyclohexyloxyphenyl)methanamine

(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine (PubChem CID 43515648) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (3,5-dichloro-2-cyclohexyloxyphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
PubChem CID43515648
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OC1CCCCC1
InChIInChI=1S/C13H17Cl2NO/c14-10-6-9(8-16)13(12(15)7-10)17-11-4-2-1-3-5-11/h6-7,11H,1-5,8,16H2
InChIKeyQAZLBMYEMPMNEG-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine
CID 54793716
N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486026
3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one
CID 60887506
2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63861675
[3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64749120
3-[2-(bromomethyl)-4,6-dichlorophenoxy]oxane
CID 107135152
[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
CID 104664075
2-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 54931099
1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 64774236
1-[3,5-dichloro-2-(oxan-3-yloxy)phenyl]butan-2-amine
CID 107137127
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine
CID 117392726

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-cyclohexyloxyphenyl)methanamine?
The IUPAC name of (3,5-dichloro-2-cyclohexyloxyphenyl)methanamine (CID 43515648) is (3,5-dichloro-2-cyclohexyloxyphenyl)methanamine.
What is the SMILES notation for (3,5-dichloro-2-cyclohexyloxyphenyl)methanamine?
The canonical SMILES for (3,5-dichloro-2-cyclohexyloxyphenyl)methanamine is NCc1cc(Cl)cc(Cl)c1OC1CCCCC1.
What is the InChIKey of (3,5-dichloro-2-cyclohexyloxyphenyl)methanamine?
The InChIKey is QAZLBMYEMPMNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-10-6-9(8-16)13(12(15)7-10)17-11-4-2-1-3-5-11/h6-7,11H,1-5,8,16H2.
What are the key properties of (3,5-dichloro-2-cyclohexyloxyphenyl)methanamine?
(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine has a molecular weight of 274.19 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-cyclohexyloxyphenyl)methanamine is sourced from PubChem (CID 43515648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).