2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine

C12H14ClF2N — CID 65029705

IUPAC2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine
SMILESFc1cccc(CNCC(Cl)C2CC2)c1F
InChIInChI=1S/C12H14ClF2N/c13-10(8-4-5-8)7-16-6-9-2-1-3-11(14)12(9)15/h1-3,8,10,16H,4-7H2
InChIKeySNCCXDMAGLDYEY-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.07
Rot. Bonds5

About 2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine

2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine (PubChem CID 65029705) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine
PubChem CID65029705
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine
SMILESFc1cccc(CNCC(Cl)C2CC2)c1F
InChIInChI=1S/C12H14ClF2N/c13-10(8-4-5-8)7-16-6-9-2-1-3-11(14)12(9)15/h1-3,8,10,16H,4-7H2
InChIKeySNCCXDMAGLDYEY-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine
CID 65026626
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine
CID 115695890
2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine
CID 65029818
2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 65029881
2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine
CID 103700276
3-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116962
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43658821

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine (CID 65029705) is 2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine is Fc1cccc(CNCC(Cl)C2CC2)c1F.
What is the InChIKey of 2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine?
The InChIKey is SNCCXDMAGLDYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10(8-4-5-8)7-16-6-9-2-1-3-11(14)12(9)15/h1-3,8,10,16H,4-7H2.
What are the key properties of 2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine?
2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine has a molecular weight of 245.70 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 65029705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).