N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine

C11H14ClF2N — CID 87065341

IUPACN-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine
SMILESCCc1cc(CNCC(F)F)ccc1Cl
InChIInChI=1S/C11H14ClF2N/c1-2-9-5-8(3-4-10(9)12)6-15-7-11(13)14/h3-5,11,15H,2,6-7H2,1H3
InChIKeyBGZDCORQRVTDQE-UHFFFAOYSA-N
MW233.69 g/mol
LogP3.26
Rot. Bonds5

About N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine

N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine (PubChem CID 87065341) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine
PubChem CID87065341
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC NameN-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine
SMILESCCc1cc(CNCC(F)F)ccc1Cl
InChIInChI=1S/C11H14ClF2N/c1-2-9-5-8(3-4-10(9)12)6-15-7-11(13)14/h3-5,11,15H,2,6-7H2,1H3
InChIKeyBGZDCORQRVTDQE-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 87415673
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
CID 115406997
2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline
CID 82841143
N-(2,2-difluoroethyl)-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
CID 115409199
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 115405634
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115406032
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62538415
N-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 102615662
N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 62537604
1-chloro-4-(3-chloropropyl)-2-ethylbenzene
CID 170836970

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine (CID 87065341) is N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine is CCc1cc(CNCC(F)F)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine?
The InChIKey is BGZDCORQRVTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N/c1-2-9-5-8(3-4-10(9)12)6-15-7-11(13)14/h3-5,11,15H,2,6-7H2,1H3.
What are the key properties of N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine?
N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine has a molecular weight of 233.69 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 87065341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).