N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline

C14H12BrF2NO — CID 43698745

IUPACN-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
SMILESFC(F)Oc1cccc(NCc2cccc(Br)c2)c1
InChIInChI=1S/C14H12BrF2NO/c15-11-4-1-3-10(7-11)9-18-12-5-2-6-13(8-12)19-14(16)17/h1-8,14,18H,9H2
InChIKeyFJFFCYGDZHQROV-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.66
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline

N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline (PubChem CID 43698745) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
PubChem CID43698745
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC NameN-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
SMILESFC(F)Oc1cccc(NCc2cccc(Br)c2)c1
InChIInChI=1S/C14H12BrF2NO/c15-11-4-1-3-10(7-11)9-18-12-5-2-6-13(8-12)19-14(16)17/h1-8,14,18H,9H2
InChIKeyFJFFCYGDZHQROV-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
N-[(5-bromothiophen-3-yl)methyl]-3-(difluoromethoxy)aniline
CID 43699084
N-[(3-chloro-4-fluorophenyl)methyl]-3-(difluoromethoxy)aniline
CID 81145113
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline
CID 43762816
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfonyl)aniline
CID 133278049
N-[[3-(difluoromethoxy)phenyl]methyl]-4-nitroaniline
CID 133278069

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline (CID 43698745) is N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline is FC(F)Oc1cccc(NCc2cccc(Br)c2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline?
The InChIKey is FJFFCYGDZHQROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-11-4-1-3-10(7-11)9-18-12-5-2-6-13(8-12)19-14(16)17/h1-8,14,18H,9H2.
What are the key properties of N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline?
N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline has a molecular weight of 328.16 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline is sourced from PubChem (CID 43698745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).