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

C14H22BrNO2 — CID 55200784

IUPAC1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc(NCC(O)COCC(C)C)cc1Br
InChIInChI=1S/C14H22BrNO2/c1-10(2)8-18-9-13(17)7-16-12-5-4-11(3)14(15)6-12/h4-6,10,13,16-17H,7-9H2,1-3H3
InChIKeyYLJNJRKLHPKVST-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.20
Rot. Bonds7

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

1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol (PubChem CID 55200784) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
PubChem CID55200784
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc(NCC(O)COCC(C)C)cc1Br
InChIInChI=1S/C14H22BrNO2/c1-10(2)8-18-9-13(17)7-16-12-5-4-11(3)14(15)6-12/h4-6,10,13,16-17H,7-9H2,1-3H3
InChIKeyYLJNJRKLHPKVST-UHFFFAOYSA-N
XLogP3.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 63333784
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974
1-(3-bromo-4-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 63334174
1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 60898402
1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 54953370
3-(3-bromo-4-methylanilino)-2-methylpropan-1-ol
CID 115871987
1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 113250573
1-(4-bromo-3-methylanilino)-3-butoxypropan-2-ol
CID 107262463
1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55061574
2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol
CID 60899678
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide
CID 60897902

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol (CID 55200784) is 1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol is Cc1ccc(NCC(O)COCC(C)C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is YLJNJRKLHPKVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-10(2)8-18-9-13(17)7-16-12-5-4-11(3)14(15)6-12/h4-6,10,13,16-17H,7-9H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol?
1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 316.24 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 55200784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).