3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol

C17H25NO — CID 103739382

IUPAC3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccccc2C2CC2)C1
InChIInChI=1S/C17H25NO/c19-16-6-3-4-13(10-16)11-18-12-15-5-1-2-7-17(15)14-8-9-14/h1-2,5,7,13-14,16,18-19H,3-4,6,8-12H2
InChIKeyFGFPWDNASZLFBW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.20
Rot. Bonds5

About 3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103739382) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103739382
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccccc2C2CC2)C1
InChIInChI=1S/C17H25NO/c19-16-6-3-4-13(10-16)11-18-12-15-5-1-2-7-17(15)14-8-9-14/h1-2,5,7,13-14,16,18-19H,3-4,6,8-12H2
InChIKeyFGFPWDNASZLFBW-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699782
3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699790
3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147754
N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 79889978
1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine
CID 79979311
3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 103823537
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
3-[[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 111467503
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
3-[[(2,4-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699981
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 103739382) is 3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCC(CNCc2ccccc2C2CC2)C1.
What is the InChIKey of 3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is FGFPWDNASZLFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-16-6-3-4-13(10-16)11-18-12-15-5-1-2-7-17(15)14-8-9-14/h1-2,5,7,13-14,16,18-19H,3-4,6,8-12H2.
What are the key properties of 3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103739382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).