[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine

C17H26ClNO — CID 63458733

IUPAC[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
SMILESCC1CCC(C(C)C)C(Oc2ccc(Cl)cc2CN)C1
InChIInChI=1S/C17H26ClNO/c1-11(2)15-6-4-12(3)8-17(15)20-16-7-5-14(18)9-13(16)10-19/h5,7,9,11-12,15,17H,4,6,8,10,19H2,1-3H3
InChIKeySYTKTINHDJQTFK-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.64
Rot. Bonds4

About [5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine

[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine (PubChem CID 63458733) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is [5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
PubChem CID63458733
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
SMILESCC1CCC(C(C)C)C(Oc2ccc(Cl)cc2CN)C1
InChIInChI=1S/C17H26ClNO/c1-11(2)15-6-4-12(3)8-17(15)20-16-7-5-14(18)9-13(16)10-19/h5,7,9,11-12,15,17H,4,6,8,10,19H2,1-3H3
InChIKeySYTKTINHDJQTFK-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43109138
4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 65342644
5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43098258
3-chloro-4-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 143166019
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531167
[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43104736
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2,4-dichlorophenoxy)acetate
CID 53297550
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7442783
[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 102663486
[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 25361503
[2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 51685606

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine?
The IUPAC name of [5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine (CID 63458733) is [5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine?
The canonical SMILES for [5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine is CC1CCC(C(C)C)C(Oc2ccc(Cl)cc2CN)C1.
What is the InChIKey of [5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine?
The InChIKey is SYTKTINHDJQTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-11(2)15-6-4-12(3)8-17(15)20-16-7-5-14(18)9-13(16)10-19/h5,7,9,11-12,15,17H,4,6,8,10,19H2,1-3H3.
What are the key properties of [5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine?
[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine has a molecular weight of 295.85 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine is sourced from PubChem (CID 63458733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).