N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine

C16H21ClFN — CID 102859235

IUPACN-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)(Cc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C16H21ClFN/c1-16(12-5-6-12,10-19-13-7-8-13)9-11-3-2-4-14(17)15(11)18/h2-4,12-13,19H,5-10H2,1H3
InChIKeyRFALPMUEUVMJMG-UHFFFAOYSA-N
MW281.80 g/mol
LogP4.19
Rot. Bonds6

About N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine

N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine (PubChem CID 102859235) has the molecular formula C16H21ClFN and a molecular weight of 281.80 g/mol. Its IUPAC name is N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
PubChem CID102859235
Molecular FormulaC16H21ClFN
Molecular Weight281.80 g/mol
Exact Mass281.13
IUPAC NameN-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)(Cc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C16H21ClFN/c1-16(12-5-6-12,10-19-13-7-8-13)9-11-3-2-4-14(17)15(11)18/h2-4,12-13,19H,5-10H2,1H3
InChIKeyRFALPMUEUVMJMG-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 102859251
N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83160159
N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 83160248
N-[3-(3-bromo-2,6-difluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 106271813
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301
1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
CID 102857046
1-amino-3-(3-chloro-2-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 102857003
N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine
CID 83159341
2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
CID 107309812
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
CID 107309723

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine (CID 102859235) is N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)(Cc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The InChIKey is RFALPMUEUVMJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN/c1-16(12-5-6-12,10-19-13-7-8-13)9-11-3-2-4-14(17)15(11)18/h2-4,12-13,19H,5-10H2,1H3.
What are the key properties of N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine has a molecular weight of 281.80 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 102859235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).