[2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine

C16H23Cl2NO — CID 43621914

IUPAC[2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Oc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C16H23Cl2NO/c1-2-3-11-4-5-12(10-19)16(6-11)20-15-8-13(17)7-14(18)9-15/h7-9,11-12,16H,2-6,10,19H2,1H3
InChIKeyZEKKVIKGAWWQHF-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.92
Rot. Bonds5

About [2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine

[2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine (PubChem CID 43621914) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is [2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine
PubChem CID43621914
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name[2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Oc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C16H23Cl2NO/c1-2-3-11-4-5-12(10-19)16(6-11)20-15-8-13(17)7-14(18)9-15/h7-9,11-12,16H,2-6,10,19H2,1H3
InChIKeyZEKKVIKGAWWQHF-UHFFFAOYSA-N
XLogP4.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine
CID 43530896
[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
CID 43621910
2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine
CID 62785970
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990
2-(4-ethoxyphenoxy)-4-propylcyclohexan-1-amine
CID 60916863
[2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43531328
[2-(3,4-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43293944
2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine
CID 62336151
(2-pentoxy-4-propylcyclohexyl)methanamine
CID 43294257
[2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine
CID 43428836
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine (CID 43621914) is [2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Oc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of [2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is ZEKKVIKGAWWQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-3-11-4-5-12(10-19)16(6-11)20-15-8-13(17)7-14(18)9-15/h7-9,11-12,16H,2-6,10,19H2,1H3.
What are the key properties of [2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine?
[2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 316.27 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 43621914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).