3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine

C12H15ClFN — CID 112567120

IUPAC3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
SMILESNCC(F)(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H15ClFN/c13-11-5-1-9(2-6-11)7-12(14,8-15)10-3-4-10/h1-2,5-6,10H,3-4,7-8,15H2
InChIKeyMYWGIDXOVGYUPS-UHFFFAOYSA-N
MW227.71 g/mol
LogP2.96
Rot. Bonds4

About 3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine

3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine (PubChem CID 112567120) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
PubChem CID112567120
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
SMILESNCC(F)(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H15ClFN/c13-11-5-1-9(2-6-11)7-12(14,8-15)10-3-4-10/h1-2,5-6,10H,3-4,7-8,15H2
InChIKeyMYWGIDXOVGYUPS-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine
CID 112567251
3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567039
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
CID 122239721
3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567073
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine
CID 112567142
3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567109
1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine
CID 105490341
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol
CID 122239719
2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine
CID 112567040
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine (CID 112567120) is 3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine is NCC(F)(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The InChIKey is MYWGIDXOVGYUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-11-5-1-9(2-6-11)7-12(14,8-15)10-3-4-10/h1-2,5-6,10H,3-4,7-8,15H2.
What are the key properties of 3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine has a molecular weight of 227.71 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine is sourced from PubChem (CID 112567120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).