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

C10H15BrN2O — CID 115120371

IUPAC2-amino-3-(4-bromo-N-methylanilino)propan-1-ol
SMILESCN(CC(N)CO)c1ccc(Br)cc1
InChIInChI=1S/C10H15BrN2O/c1-13(6-9(12)7-14)10-4-2-8(11)3-5-10/h2-5,9,14H,6-7,12H2,1H3
InChIKeyNBCNQLVXVYCXKW-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.20
Rot. Bonds4

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

2-amino-3-(4-bromo-N-methylanilino)propan-1-ol (PubChem CID 115120371) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-amino-3-(4-bromo-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-bromo-N-methylanilino)propan-1-ol
PubChem CID115120371
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-amino-3-(4-bromo-N-methylanilino)propan-1-ol
SMILESCN(CC(N)CO)c1ccc(Br)cc1
InChIInChI=1S/C10H15BrN2O/c1-13(6-9(12)7-14)10-4-2-8(11)3-5-10/h2-5,9,14H,6-7,12H2,1H3
InChIKeyNBCNQLVXVYCXKW-UHFFFAOYSA-N
XLogP1.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252380
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 115199107
methyl 2-[(4-bromo-N-methylanilino)methyl]butanoate
CID 115253055
5-[(2-amino-3-hydroxypropyl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115120469
4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 61415399
3-N-(4-ethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119487
2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131728
3-amino-4-(4-chloro-N-methylanilino)butanoic acid
CID 115241545
2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one
CID 83693969
1-[4-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935182
1-(4-bromophenyl)-1-methylhydrazine
CID 12754267
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromo-N-methylanilino)propan-1-ol?
The IUPAC name of 2-amino-3-(4-bromo-N-methylanilino)propan-1-ol (CID 115120371) is 2-amino-3-(4-bromo-N-methylanilino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(4-bromo-N-methylanilino)propan-1-ol?
The canonical SMILES for 2-amino-3-(4-bromo-N-methylanilino)propan-1-ol is CN(CC(N)CO)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-3-(4-bromo-N-methylanilino)propan-1-ol?
The InChIKey is NBCNQLVXVYCXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-13(6-9(12)7-14)10-4-2-8(11)3-5-10/h2-5,9,14H,6-7,12H2,1H3.
What are the key properties of 2-amino-3-(4-bromo-N-methylanilino)propan-1-ol?
2-amino-3-(4-bromo-N-methylanilino)propan-1-ol has a molecular weight of 259.15 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-bromo-N-methylanilino)propan-1-ol is sourced from PubChem (CID 115120371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).