1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol

C14H20FNO — CID 110932461

IUPAC1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H20FNO/c1-14(2,17)10-16(12-7-8-12)9-11-5-3-4-6-13(11)15/h3-6,12,17H,7-10H2,1-2H3
InChIKeyHEVXYFXTYRPVIK-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.56
Rot. Bonds5

About 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol

1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol (PubChem CID 110932461) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol
PubChem CID110932461
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H20FNO/c1-14(2,17)10-16(12-7-8-12)9-11-5-3-4-6-13(11)15/h3-6,12,17H,7-10H2,1-2H3
InChIKeyHEVXYFXTYRPVIK-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
1-[benzyl(methyl)amino]-3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]propan-2-ol
CID 86882558
N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine
CID 86909109
2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile
CID 62048932
3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol
CID 62264951
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750343
N-[(2-fluorophenyl)methyl]-N-(quinolin-8-ylmethyl)cyclopropanamine
CID 55503066
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol (CID 110932461) is 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol is CC(C)(O)CN(Cc1ccccc1F)C1CC1.
What is the InChIKey of 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol?
The InChIKey is HEVXYFXTYRPVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,17)10-16(12-7-8-12)9-11-5-3-4-6-13(11)15/h3-6,12,17H,7-10H2,1-2H3.
What are the key properties of 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol?
1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol has a molecular weight of 237.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 110932461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).