N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine

C11H14ClF2N — CID 115263650

IUPACN-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCCl)c1cc(F)ccc1F
InChIInChI=1S/C11H14ClF2N/c1-11(2,6-15-7-12)9-5-8(13)3-4-10(9)14/h3-5,15H,6-7H2,1-2H3
InChIKeyYHQQEGPFVDDVOG-UHFFFAOYSA-N
MW233.69 g/mol
LogP3.03
Rot. Bonds4

About N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine

N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine (PubChem CID 115263650) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine
PubChem CID115263650
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC NameN-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCCl)c1cc(F)ccc1F
InChIInChI=1S/C11H14ClF2N/c1-11(2,6-15-7-12)9-5-8(13)3-4-10(9)14/h3-5,15H,6-7H2,1-2H3
InChIKeyYHQQEGPFVDDVOG-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
CID 115262615
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830832
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide
CID 115173428
2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 115260376
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
CID 115137230
2-(5-bromo-2-methylphenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263701
2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63036008
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223587
2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263726

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine (CID 115263650) is N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine is CC(C)(CNCCl)c1cc(F)ccc1F.
What is the InChIKey of N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine?
The InChIKey is YHQQEGPFVDDVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N/c1-11(2,6-15-7-12)9-5-8(13)3-4-10(9)14/h3-5,15H,6-7H2,1-2H3.
What are the key properties of N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine?
N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine has a molecular weight of 233.69 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115263650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).