2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol

C17H26FNO — CID 114834244

IUPAC2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CO)(Cc1cccc(F)c1)NC1CCCCCC1
InChIInChI=1S/C17H26FNO/c1-17(13-20,12-14-7-6-8-15(18)11-14)19-16-9-4-2-3-5-10-16/h6-8,11,16,19-20H,2-5,9-10,12-13H2,1H3
InChIKeyXBABCSBAXOGVEV-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.43
Rot. Bonds5

About 2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol

2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 114834244) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
PubChem CID114834244
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CO)(Cc1cccc(F)c1)NC1CCCCCC1
InChIInChI=1S/C17H26FNO/c1-17(13-20,12-14-7-6-8-15(18)11-14)19-16-9-4-2-3-5-10-16/h6-8,11,16,19-20H,2-5,9-10,12-13H2,1H3
InChIKeyXBABCSBAXOGVEV-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 114832131
2-(cyclohexylamino)-2-(3-fluorophenyl)propan-1-ol
CID 61047305
3-(3-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 114834241
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
CID 114872869
3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114831771
methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
CID 114832026
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
3-(3-fluorophenyl)-2-methyl-2-(2-methylanilino)propan-1-ol
CID 114834179
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358
2-(cyclohexylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61046551
N-[2-(3-fluorophenyl)propan-2-yl]cyclopentanamine
CID 115901868
2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61055166

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol (CID 114834244) is 2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol is CC(CO)(Cc1cccc(F)c1)NC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is XBABCSBAXOGVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-17(13-20,12-14-7-6-8-15(18)11-14)19-16-9-4-2-3-5-10-16/h6-8,11,16,19-20H,2-5,9-10,12-13H2,1H3.
What are the key properties of 2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol?
2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 114834244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).