[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine

C18H29NO — CID 117113421

IUPAC[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine
SMILESCOCC(C)(C)c1cccc(C2(CN)CCCCC2)c1
InChIInChI=1S/C18H29NO/c1-17(2,14-20-3)15-8-7-9-16(12-15)18(13-19)10-5-4-6-11-18/h7-9,12H,4-6,10-11,13-14,19H2,1-3H3
InChIKeyJZDWKTVYMWZOKE-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.77
Rot. Bonds5

About [1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine

[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine (PubChem CID 117113421) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine
PubChem CID117113421
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine
SMILESCOCC(C)(C)c1cccc(C2(CN)CCCCC2)c1
InChIInChI=1S/C18H29NO/c1-17(2,14-20-3)15-8-7-9-16(12-15)18(13-19)10-5-4-6-11-18/h7-9,12H,4-6,10-11,13-14,19H2,1-3H3
InChIKeyJZDWKTVYMWZOKE-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
CID 117113422
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine
CID 117116875
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390
[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
CID 117113249
[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 116992722
2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol
CID 117112780
1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485623
[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine
CID 117394631
[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
CID 116993044
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
CID 117438827

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine (CID 117113421) is [1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine is COCC(C)(C)c1cccc(C2(CN)CCCCC2)c1.
What is the InChIKey of [1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine?
The InChIKey is JZDWKTVYMWZOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,14-20-3)15-8-7-9-16(12-15)18(13-19)10-5-4-6-11-18/h7-9,12H,4-6,10-11,13-14,19H2,1-3H3.
What are the key properties of [1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine?
[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117113421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).