[3-chloro-5-(difluoromethoxy)phenyl]methanamine

C8H8ClF2NO — CID 130564088

IUPAC[3-chloro-5-(difluoromethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)cc(OC(F)F)c1
InChIInChI=1S/C8H8ClF2NO/c9-6-1-5(4-12)2-7(3-6)13-8(10)11/h1-3,8H,4,12H2
InChIKeyMLHHHQUBKBEUJT-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.40
Rot. Bonds3

About [3-chloro-5-(difluoromethoxy)phenyl]methanamine

[3-chloro-5-(difluoromethoxy)phenyl]methanamine (PubChem CID 130564088) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is [3-chloro-5-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-5-(difluoromethoxy)phenyl]methanamine
PubChem CID130564088
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name[3-chloro-5-(difluoromethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)cc(OC(F)F)c1
InChIInChI=1S/C8H8ClF2NO/c9-6-1-5(4-12)2-7(3-6)13-8(10)11/h1-3,8H,4,12H2
InChIKeyMLHHHQUBKBEUJT-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methoxyphenyl)methanamine
CID 51063718
[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine
CID 121228247
[3-chloro-5-(difluoromethoxy)phenyl] carbamate
CID 174190375
1-chloro-3-(difluoromethoxy)-5-isocyanatobenzene
CID 171028430
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
[3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride
CID 172883217
2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene
CID 171032891
3-bromo-1-[3-chloro-5-(difluoromethoxy)phenyl]propan-1-one
CID 134625308
4-[3-tert-butyl-5-(difluoromethoxy)phenyl]butan-1-amine
CID 70646175
N-[(3-chloro-5-fluorophenyl)methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 114452225
[4-(difluoromethoxy)-2-pyridinyl]methanamine
CID 130046959
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-5-(difluoromethoxy)phenyl]methanamine (CID 130564088) is [3-chloro-5-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-5-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-5-(difluoromethoxy)phenyl]methanamine is NCc1cc(Cl)cc(OC(F)F)c1.
What is the InChIKey of [3-chloro-5-(difluoromethoxy)phenyl]methanamine?
The InChIKey is MLHHHQUBKBEUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-6-1-5(4-12)2-7(3-6)13-8(10)11/h1-3,8H,4,12H2.
What are the key properties of [3-chloro-5-(difluoromethoxy)phenyl]methanamine?
[3-chloro-5-(difluoromethoxy)phenyl]methanamine has a molecular weight of 207.61 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 130564088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).