1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol

C14H20BrNO2 — CID 82969825

IUPAC1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
SMILESCOCCN(c1ccc(Br)cc1C(C)O)C1CC1
InChIInChI=1S/C14H20BrNO2/c1-10(17)13-9-11(15)3-6-14(13)16(7-8-18-2)12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3
InChIKeyAHMMWMBHJGRMRF-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.12
Rot. Bonds6

About 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol

1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol (PubChem CID 82969825) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
PubChem CID82969825
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
SMILESCOCCN(c1ccc(Br)cc1C(C)O)C1CC1
InChIInChI=1S/C14H20BrNO2/c1-10(17)13-9-11(15)3-6-14(13)16(7-8-18-2)12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3
InChIKeyAHMMWMBHJGRMRF-UHFFFAOYSA-N
XLogP3.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol 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-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 62909901
4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 65343179
1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339600
[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]methanol
CID 114062339
3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 82804244
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 63735637
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82967927
1-[4-bromo-2-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 82971014
[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol
CID 55040023
2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide
CID 82970493
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline
CID 82971357

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol (CID 82969825) is 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol is COCCN(c1ccc(Br)cc1C(C)O)C1CC1.
What is the InChIKey of 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol?
The InChIKey is AHMMWMBHJGRMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(17)13-9-11(15)3-6-14(13)16(7-8-18-2)12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol?
1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol has a molecular weight of 314.22 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol is sourced from PubChem (CID 82969825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).