2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine

C10H12BrF2N — CID 84729687

IUPAC2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine
SMILESNCC(Cc1ccccc1Br)C(F)F
InChIInChI=1S/C10H12BrF2N/c11-9-4-2-1-3-7(9)5-8(6-14)10(12)13/h1-4,8,10H,5-6,14H2
InChIKeyXWCPRGSVIFGONJ-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.83
Rot. Bonds4

About 2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine

2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine (PubChem CID 84729687) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine
PubChem CID84729687
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine
SMILESNCC(Cc1ccccc1Br)C(F)F
InChIInChI=1S/C10H12BrF2N/c11-9-4-2-1-3-7(9)5-8(6-14)10(12)13/h1-4,8,10H,5-6,14H2
InChIKeyXWCPRGSVIFGONJ-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-1,1-difluoropropan-2-ol
CID 112699172
3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79442108
(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
CID 97110840
2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
CID 66060049
2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine
CID 115984179
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
2-[(2-bromophenyl)methyl]-5-methylsulfonylpentan-1-amine
CID 63195597
2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine
CID 84730326
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
4-(2-bromophenyl)-2-methylbutan-1-amine
CID 64664319

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine (CID 84729687) is 2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine is NCC(Cc1ccccc1Br)C(F)F.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine?
The InChIKey is XWCPRGSVIFGONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c11-9-4-2-1-3-7(9)5-8(6-14)10(12)13/h1-4,8,10H,5-6,14H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine?
2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine has a molecular weight of 264.11 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine is sourced from PubChem (CID 84729687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).