1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol

C17H27NO — CID 117113390

IUPAC1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cccc(C2(CN)CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-16(2,19)12-14-7-6-8-15(11-14)17(13-18)9-4-3-5-10-17/h6-8,11,19H,3-5,9-10,12-13,18H2,1-2H3
InChIKeyGGAWMIPQFPJCSV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.16
Rot. Bonds4

About 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol

1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol (PubChem CID 117113390) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
PubChem CID117113390
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cccc(C2(CN)CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-16(2,19)12-14-7-6-8-15(11-14)17(13-18)9-4-3-5-10-17/h6-8,11,19H,3-5,9-10,12-13,18H2,1-2H3
InChIKeyGGAWMIPQFPJCSV-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 117316889
2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
CID 117113422
2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol
CID 117116844
[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117113421
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine
CID 105478163
1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea
CID 117408462
[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
CID 117111965

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol (CID 117113390) is 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol is CC(C)(O)Cc1cccc(C2(CN)CCCCC2)c1.
What is the InChIKey of 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol?
The InChIKey is GGAWMIPQFPJCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,19)12-14-7-6-8-15(11-14)17(13-18)9-4-3-5-10-17/h6-8,11,19H,3-5,9-10,12-13,18H2,1-2H3.
What are the key properties of 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol?
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 117113390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).