2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine

C14H20FN — CID 103700181

IUPAC2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)(C)C2CC2)cc1F
InChIInChI=1S/C14H20FN/c1-10-4-5-11(8-13(10)15)9-16-14(2,3)12-6-7-12/h4-5,8,12,16H,6-7,9H2,1-3H3
InChIKeyVVMWDEWAHXCUSA-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.41
Rot. Bonds4

About 2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine

2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine (PubChem CID 103700181) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine
PubChem CID103700181
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)(C)C2CC2)cc1F
InChIInChI=1S/C14H20FN/c1-10-4-5-11(8-13(10)15)9-16-14(2,3)12-6-7-12/h4-5,8,12,16H,6-7,9H2,1-3H3
InChIKeyVVMWDEWAHXCUSA-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103773729
2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 103700221
2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine
CID 103700096
2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
CID 103700185
N-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103845100
2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
CID 103700269
N'-tert-butyl-N-[(3-fluoro-4-methylphenyl)methyl]propane-1,3-diamine
CID 113410417
2-ethyl-2-[(3-fluoro-4-methylphenyl)methylamino]propane-1,3-diol
CID 103880650
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151
N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 63646209
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine (CID 103700181) is 2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine is Cc1ccc(CNC(C)(C)C2CC2)cc1F.
What is the InChIKey of 2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine?
The InChIKey is VVMWDEWAHXCUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-4-5-11(8-13(10)15)9-16-14(2,3)12-6-7-12/h4-5,8,12,16H,6-7,9H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine?
2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 103700181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).