[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine

C15H21Cl2NO — CID 54793716

IUPAC[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OCCC1CCCCC1
InChIInChI=1S/C15H21Cl2NO/c16-13-8-12(10-18)15(14(17)9-13)19-7-6-11-4-2-1-3-5-11/h8-9,11H,1-7,10,18H2
InChIKeyHMYFQVAHPPCVCF-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.80
Rot. Bonds5

About [3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine

[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine (PubChem CID 54793716) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is [3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine
PubChem CID54793716
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OCCC1CCCCC1
InChIInChI=1S/C15H21Cl2NO/c16-13-8-12(10-18)15(14(17)9-13)19-7-6-11-4-2-1-3-5-11/h8-9,11H,1-7,10,18H2
InChIKeyHMYFQVAHPPCVCF-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
CID 43515648
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103409014
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
4-[2-(aminomethyl)-4,6-dichlorophenoxy]butanenitrile
CID 60888481
N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 63505531
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
1-(bromomethyl)-3,5-dichloro-2-(cyclobutylmethoxy)benzene
CID 65458771
[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 60890014
3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one
CID 60887506
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine?
The IUPAC name of [3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine (CID 54793716) is [3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine is NCc1cc(Cl)cc(Cl)c1OCCC1CCCCC1.
What is the InChIKey of [3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine?
The InChIKey is HMYFQVAHPPCVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c16-13-8-12(10-18)15(14(17)9-13)19-7-6-11-4-2-1-3-5-11/h8-9,11H,1-7,10,18H2.
What are the key properties of [3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine?
[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine has a molecular weight of 302.24 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine is sourced from PubChem (CID 54793716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).