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

C17H20FNOS — CID 62358495

IUPAC2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C17H20FNOS/c18-14-8-7-12(10-13(14)17-6-3-9-21-17)11-19-15-4-1-2-5-16(15)20/h3,6-10,15-16,19-20H,1-2,4-5,11H2
InChIKeyFRIAGLCZYQLCFT-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.95
Rot. Bonds4

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

2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 62358495) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol
PubChem CID62358495
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C17H20FNOS/c18-14-8-7-12(10-13(14)17-6-3-9-21-17)11-19-15-4-1-2-5-16(15)20/h3,6-10,15-16,19-20H,1-2,4-5,11H2
InChIKeyFRIAGLCZYQLCFT-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine
CID 63420419
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine
CID 103887823
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 61103811
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472
3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide
CID 61103230
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
CID 83010258
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81391284

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol (CID 62358495) is 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol is OC1CCCCC1NCc1ccc(F)c(-c2cccs2)c1.
What is the InChIKey of 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is FRIAGLCZYQLCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c18-14-8-7-12(10-13(14)17-6-3-9-21-17)11-19-15-4-1-2-5-16(15)20/h3,6-10,15-16,19-20H,1-2,4-5,11H2.
What are the key properties of 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol?
2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 62358495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).