1-amino-3-(4-bromo-3-methylanilino)propan-2-ol

C10H15BrN2O — CID 82044855

IUPAC1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
SMILESCc1cc(NCC(O)CN)ccc1Br
InChIInChI=1S/C10H15BrN2O/c1-7-4-8(2-3-10(7)11)13-6-9(14)5-12/h2-4,9,13-14H,5-6,12H2,1H3
InChIKeyPUMPTFBILHSEEY-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.49
Rot. Bonds4

About 1-amino-3-(4-bromo-3-methylanilino)propan-2-ol

1-amino-3-(4-bromo-3-methylanilino)propan-2-ol (PubChem CID 82044855) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-amino-3-(4-bromo-3-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
PubChem CID82044855
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
SMILESCc1cc(NCC(O)CN)ccc1Br
InChIInChI=1S/C10H15BrN2O/c1-7-4-8(2-3-10(7)11)13-6-9(14)5-12/h2-4,9,13-14H,5-6,12H2,1H3
InChIKeyPUMPTFBILHSEEY-UHFFFAOYSA-N
XLogP1.49
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
CID 60897509
1-amino-3-(3,5-dimethylanilino)propan-2-ol
CID 82040092
2-amino-3-(4-bromo-3-methylanilino)propanamide
CID 103232914
1-(4-bromo-3-methylanilino)-3-butoxypropan-2-ol
CID 107262463
1-amino-3-(3-bromoanilino)propan-2-ol
CID 15564361
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940
2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
CID 103387117
4-bromo-3-methyl-N-(2-phenylpropyl)aniline
CID 43102221
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
4-bromo-N-ethyl-3-methylaniline;hydrochloride
CID 75530858
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-bromo-3-methylanilino)propan-2-ol?
The IUPAC name of 1-amino-3-(4-bromo-3-methylanilino)propan-2-ol (CID 82044855) is 1-amino-3-(4-bromo-3-methylanilino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(4-bromo-3-methylanilino)propan-2-ol?
The canonical SMILES for 1-amino-3-(4-bromo-3-methylanilino)propan-2-ol is Cc1cc(NCC(O)CN)ccc1Br.
What is the InChIKey of 1-amino-3-(4-bromo-3-methylanilino)propan-2-ol?
The InChIKey is PUMPTFBILHSEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7-4-8(2-3-10(7)11)13-6-9(14)5-12/h2-4,9,13-14H,5-6,12H2,1H3.
What are the key properties of 1-amino-3-(4-bromo-3-methylanilino)propan-2-ol?
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol has a molecular weight of 259.15 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-bromo-3-methylanilino)propan-2-ol is sourced from PubChem (CID 82044855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).