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

C17H26FNO — CID 114872869

IUPAC2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
SMILESCCC(CO)(NC1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H26FNO/c1-2-17(13-20,14-8-7-9-15(18)12-14)19-16-10-5-3-4-6-11-16/h7-9,12,16,19-20H,2-6,10-11,13H2,1H3
InChIKeyNZWHJLFKRLALQO-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.74
Rot. Bonds5

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

2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol (PubChem CID 114872869) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
PubChem CID114872869
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
SMILESCCC(CO)(NC1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H26FNO/c1-2-17(13-20,14-8-7-9-15(18)12-14)19-16-10-5-3-4-6-11-16/h7-9,12,16,19-20H,2-6,10-11,13H2,1H3
InChIKeyNZWHJLFKRLALQO-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(3-fluorophenyl)propan-1-ol
CID 61047305
2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
CID 114871995
N-[2-(3-fluorophenyl)propan-2-yl]cyclopentanamine
CID 115901868
2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 114872852
2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
CID 114834244
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
CID 114871991
2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol
CID 61046739
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 114872860
1-cyclopentyl-1-(3-fluorophenyl)propan-1-amine
CID 114872823
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358
2-(cyclohexylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61046551

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol?
The IUPAC name of 2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol (CID 114872869) is 2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol is CCC(CO)(NC1CCCCCC1)c1cccc(F)c1.
What is the InChIKey of 2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol?
The InChIKey is NZWHJLFKRLALQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-17(13-20,14-8-7-9-15(18)12-14)19-16-10-5-3-4-6-11-16/h7-9,12,16,19-20H,2-6,10-11,13H2,1H3.
What are the key properties of 2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol?
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol is sourced from PubChem (CID 114872869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).