1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol

C14H20BrNO2 — CID 62909901

IUPAC1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
SMILESCOCCN(c1ccc(C(C)O)cc1Br)C1CC1
InChIInChI=1S/C14H20BrNO2/c1-10(17)11-3-6-14(13(15)9-11)16(7-8-18-2)12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3
InChIKeyFXUSMNUZDLRJOQ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.12
Rot. Bonds6

About 1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol

1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol (PubChem CID 62909901) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
PubChem CID62909901
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
SMILESCOCCN(c1ccc(C(C)O)cc1Br)C1CC1
InChIInChI=1S/C14H20BrNO2/c1-10(17)11-3-6-14(13(15)9-11)16(7-8-18-2)12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3
InChIKeyFXUSMNUZDLRJOQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 82969825
3-[2-bromo-N-cyclopropyl-4-[(1S)-1-hydroxyethyl]anilino]propanenitrile
CID 78940580
[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]methanol
CID 114062339
(1S)-1-[3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950797
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100
(1R)-1-[3-bromo-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanol
CID 63372750
1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol
CID 62908872
1-[3-bromo-4-[2-hydroxyethyl(2-methoxyethyl)amino]phenyl]ethanol
CID 113467856
3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 82804244
2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide
CID 62908195
(1S)-1-[3-bromo-4-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940254
(1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63540480

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol (CID 62909901) is 1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol is COCCN(c1ccc(C(C)O)cc1Br)C1CC1.
What is the InChIKey of 1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol?
The InChIKey is FXUSMNUZDLRJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(17)11-3-6-14(13(15)9-11)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-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol?
1-[3-bromo-4-[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-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol is sourced from PubChem (CID 62909901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).