2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol

C13H18FNO — CID 111977207

IUPAC2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol
SMILESCC(CO)(NCc1ccccc1F)C1CC1
InChIInChI=1S/C13H18FNO/c1-13(9-16,11-6-7-11)15-8-10-4-2-3-5-12(10)14/h2-5,11,15-16H,6-9H2,1H3
InChIKeyYDBWWULCFAGYBG-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.08
Rot. Bonds5

About 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol

2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol (PubChem CID 111977207) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol
PubChem CID111977207
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol
SMILESCC(CO)(NCc1ccccc1F)C1CC1
InChIInChI=1S/C13H18FNO/c1-13(9-16,11-6-7-11)15-8-10-4-2-3-5-12(10)14/h2-5,11,15-16H,6-9H2,1H3
InChIKeyYDBWWULCFAGYBG-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propan-1-ol
CID 97030669
2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine
CID 103700276
2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
2-[[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]amino]-N-(2-ethylphenyl)acetamide
CID 97262568
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
CID 111976449
N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331476
1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine
CID 54866682
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol
CID 111977184
2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 61045652
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol (CID 111977207) is 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol is CC(CO)(NCc1ccccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol?
The InChIKey is YDBWWULCFAGYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(9-16,11-6-7-11)15-8-10-4-2-3-5-12(10)14/h2-5,11,15-16H,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol?
2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 111977207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).