3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine

C14H20FN — CID 115639477

IUPAC3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCc1cc(CNCCCC2CC2)ccc1F
InChIInChI=1S/C14H20FN/c1-11-9-13(6-7-14(11)15)10-16-8-2-3-12-4-5-12/h6-7,9,12,16H,2-5,8,10H2,1H3
InChIKeyPXYNQHRWMKSNBM-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.41
Rot. Bonds6

About 3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine

3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine (PubChem CID 115639477) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
PubChem CID115639477
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCc1cc(CNCCCC2CC2)ccc1F
InChIInChI=1S/C14H20FN/c1-11-9-13(6-7-14(11)15)10-16-8-2-3-12-4-5-12/h6-7,9,12,16H,2-5,8,10H2,1H3
InChIKeyPXYNQHRWMKSNBM-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-3-cyclopropylpropan-1-amine
CID 115639618
5-[(3-cyclopropylpropylamino)methyl]-2-fluorobenzonitrile
CID 114012165
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
3,3,3-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63226166
N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine
CID 60705049
N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 113232261
3-[(4-fluoro-3-methylphenyl)methylamino]propane-1-sulfonic acid
CID 58691913
N',N'-diethyl-N-[(4-fluoro-3-methylphenyl)methyl]propane-1,3-diamine
CID 55040345
3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115639482
5-[(4-fluoro-3-methylphenyl)methylamino]pentan-2-one
CID 115236437
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 63378460

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine (CID 115639477) is 3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine is Cc1cc(CNCCCC2CC2)ccc1F.
What is the InChIKey of 3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is PXYNQHRWMKSNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-9-13(6-7-14(11)15)10-16-8-2-3-12-4-5-12/h6-7,9,12,16H,2-5,8,10H2,1H3.
What are the key properties of 3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115639477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).