2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol

C16H25NO — CID 117113373

IUPAC2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1C1(CN)CCCCC1
InChIInChI=1S/C16H25NO/c1-15(2,18)13-8-4-5-9-14(13)16(12-17)10-6-3-7-11-16/h4-5,8-9,18H,3,6-7,10-12,17H2,1-2H3
InChIKeyNEVKOJCJQPUEQO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.07
Rot. Bonds3

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

2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol (PubChem CID 117113373) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
PubChem CID117113373
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1C1(CN)CCCCC1
InChIInChI=1S/C16H25NO/c1-15(2,18)13-8-4-5-9-14(13)16(12-17)10-6-3-7-11-16/h4-5,8-9,18H,3,6-7,10-12,17H2,1-2H3
InChIKeyNEVKOJCJQPUEQO-UHFFFAOYSA-N
XLogP3.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol
CID 117113245
2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117107629
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol
CID 117113871
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
CID 117313437
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117112248
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390
N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide
CID 117477808
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol (CID 117113373) is 2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1C1(CN)CCCCC1.
What is the InChIKey of 2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol?
The InChIKey is NEVKOJCJQPUEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,18)13-8-4-5-9-14(13)16(12-17)10-6-3-7-11-16/h4-5,8-9,18H,3,6-7,10-12,17H2,1-2H3.
What are the key properties of 2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol?
2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol is sourced from PubChem (CID 117113373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).