N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine

C12H17ClFN — CID 83823795

IUPACN-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
SMILESCC(C)(F)CNCCc1cccc(Cl)c1
InChIInChI=1S/C12H17ClFN/c1-12(2,14)9-15-7-6-10-4-3-5-11(13)8-10/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyRBNVCJMTWATDGN-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine

N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine (PubChem CID 83823795) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
PubChem CID83823795
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
SMILESCC(C)(F)CNCCc1cccc(Cl)c1
InChIInChI=1S/C12H17ClFN/c1-12(2,14)9-15-7-6-10-4-3-5-11(13)8-10/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyRBNVCJMTWATDGN-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride
CID 155821876
3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108961228
N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656052
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43566240
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285
2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine
CID 142912898

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine (CID 83823795) is N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine is CC(C)(F)CNCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine?
The InChIKey is RBNVCJMTWATDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-12(2,14)9-15-7-6-10-4-3-5-11(13)8-10/h3-5,8,15H,6-7,9H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine?
N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine has a molecular weight of 229.73 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 83823795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).