3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol

C16H17Br2NO — CID 114376075

IUPAC3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)C(O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H17Br2NO/c1-10-3-2-4-11(7-10)14(9-19)16(20)13-8-12(17)5-6-15(13)18/h2-8,14,16,20H,9,19H2,1H3
InChIKeyFMNQPEUAHIIVQJ-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.30
Rot. Bonds4

About 3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol

3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 114376075) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
PubChem CID114376075
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)C(O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H17Br2NO/c1-10-3-2-4-11(7-10)14(9-19)16(20)13-8-12(17)5-6-15(13)18/h2-8,14,16,20H,9,19H2,1H3
InChIKeyFMNQPEUAHIIVQJ-UHFFFAOYSA-N
XLogP4.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
CID 115370283
3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 81116828
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 81117504
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol
CID 65188216
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol
CID 65309758

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol (CID 114376075) is 3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CN)C(O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is FMNQPEUAHIIVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-10-3-2-4-11(7-10)14(9-19)16(20)13-8-12(17)5-6-15(13)18/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol?
3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol has a molecular weight of 399.13 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 114376075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).