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

C12H15ClFN — CID 112567039

IUPAC3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
SMILESNCC(F)(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C12H15ClFN/c13-11-3-1-2-9(6-11)7-12(14,8-15)10-4-5-10/h1-3,6,10H,4-5,7-8,15H2
InChIKeyTZYXXJHPWASNJP-UHFFFAOYSA-N
MW227.71 g/mol
LogP2.96
Rot. Bonds4

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

3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine (PubChem CID 112567039) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
PubChem CID112567039
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
SMILESNCC(F)(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C12H15ClFN/c13-11-3-1-2-9(6-11)7-12(14,8-15)10-4-5-10/h1-3,6,10H,4-5,7-8,15H2
InChIKeyTZYXXJHPWASNJP-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

3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567120
1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
CID 60798785
4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine
CID 112567142
1-chloro-3-(2,2,2-tribromoethyl)benzene
CID 54491677
3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567109
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64764440
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine
CID 65382963
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine
CID 63497587
3-chloroaniline;cyclopropylmethanamine
CID 69484094
2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 61413520

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine (CID 112567039) is 3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine is NCC(F)(Cc1cccc(Cl)c1)C1CC1.
What is the InChIKey of 3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The InChIKey is TZYXXJHPWASNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-11-3-1-2-9(6-11)7-12(14,8-15)10-4-5-10/h1-3,6,10H,4-5,7-8,15H2.
What are the key properties of 3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
3-(3-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-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine is sourced from PubChem (CID 112567039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).