3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol

C13H18FNO — CID 111457458

IUPAC3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol
SMILESOCCC(NCc1ccccc1F)C1CC1
InChIInChI=1S/C13H18FNO/c14-12-4-2-1-3-11(12)9-15-13(7-8-16)10-5-6-10/h1-4,10,13,15-16H,5-9H2
InChIKeyJSLKDEVVXSZYDU-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.08
Rot. Bonds6

About 3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol

3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol (PubChem CID 111457458) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol
PubChem CID111457458
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol
SMILESOCCC(NCc1ccccc1F)C1CC1
InChIInChI=1S/C13H18FNO/c14-12-4-2-1-3-11(12)9-15-13(7-8-16)10-5-6-10/h1-4,10,13,15-16H,5-9H2
InChIKeyJSLKDEVVXSZYDU-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 111457432
2-[(1-cyclopropylbutylamino)methyl]phenol
CID 115769918
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol
CID 115646628
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol
CID 111457420
3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 111457473
3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol
CID 141284210
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-cyclopropylpropan-1-ol
CID 111457490
1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine
CID 146000033
1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine
CID 115728904

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol?
The IUPAC name of 3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol (CID 111457458) is 3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol?
The canonical SMILES for 3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol is OCCC(NCc1ccccc1F)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol?
The InChIKey is JSLKDEVVXSZYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-12-4-2-1-3-11(12)9-15-13(7-8-16)10-5-6-10/h1-4,10,13,15-16H,5-9H2.
What are the key properties of 3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol?
3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 111457458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).