2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol

C14H20FNO2 — CID 60612459

IUPAC2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1ccc(CNC2CCCCC2O)cc1F
InChIInChI=1S/C14H20FNO2/c1-18-14-7-6-10(8-11(14)15)9-16-12-4-2-3-5-13(12)17/h6-8,12-13,16-17H,2-5,9H2,1H3
InChIKeyBVRSBNVVEKZNFK-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.23
Rot. Bonds4

About 2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol

2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 60612459) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID60612459
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1ccc(CNC2CCCCC2O)cc1F
InChIInChI=1S/C14H20FNO2/c1-18-14-7-6-10(8-11(14)15)9-16-12-4-2-3-5-13(12)17/h6-8,12-13,16-17H,2-5,9H2,1H3
InChIKeyBVRSBNVVEKZNFK-UHFFFAOYSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700320
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 22918527
trans-(1S,2S)-2-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylamino]cyclohexan-1-ol
CID 95336181
2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 104791760
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62360308
3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 103702271
1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol (CID 60612459) is 2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol is COc1ccc(CNC2CCCCC2O)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is BVRSBNVVEKZNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-18-14-7-6-10(8-11(14)15)9-16-12-4-2-3-5-13(12)17/h6-8,12-13,16-17H,2-5,9H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol?
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 60612459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).