1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine

C14H20FN — CID 115708476

IUPAC1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)C(NCc1cccc(F)c1)C1CC1
InChIInChI=1S/C14H20FN/c1-10(2)14(12-6-7-12)16-9-11-4-3-5-13(15)8-11/h3-5,8,10,12,14,16H,6-7,9H2,1-2H3
InChIKeyAKOUHLOMDCVMMT-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.35
Rot. Bonds5

About 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine

1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 115708476) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
PubChem CID115708476
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)C(NCc1cccc(F)c1)C1CC1
InChIInChI=1S/C14H20FN/c1-10(2)14(12-6-7-12)16-9-11-4-3-5-13(15)8-11/h3-5,8,10,12,14,16H,6-7,9H2,1-2H3
InChIKeyAKOUHLOMDCVMMT-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43085072
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N-[(3-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
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1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
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(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3-fluorophenyl)methyl]ethanamine
CID 98074301
N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine
CID 115708475
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
3-[(3-fluorophenyl)methylamino]butan-1-ol
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1-[(3-fluorophenyl)methylamino]propan-1-ol
CID 90777297

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine (CID 115708476) is 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine is CC(C)C(NCc1cccc(F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is AKOUHLOMDCVMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(2)14(12-6-7-12)16-9-11-4-3-5-13(15)8-11/h3-5,8,10,12,14,16H,6-7,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine?
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115708476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).