2-bromo-4-[1-(ethylamino)ethyl]phenol

C10H14BrNO — CID 62910509

IUPAC2-bromo-4-[1-(ethylamino)ethyl]phenol
SMILESCCNC(C)c1ccc(O)c(Br)c1
InChIInChI=1S/C10H14BrNO/c1-3-12-7(2)8-4-5-10(13)9(11)6-8/h4-7,12-13H,3H2,1-2H3
InChIKeyOWFWJWJANOTWPD-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.83
Rot. Bonds3

About 2-bromo-4-[1-(ethylamino)ethyl]phenol

2-bromo-4-[1-(ethylamino)ethyl]phenol (PubChem CID 62910509) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-bromo-4-[1-(ethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[1-(ethylamino)ethyl]phenol
PubChem CID62910509
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-bromo-4-[1-(ethylamino)ethyl]phenol
SMILESCCNC(C)c1ccc(O)c(Br)c1
InChIInChI=1S/C10H14BrNO/c1-3-12-7(2)8-4-5-10(13)9(11)6-8/h4-7,12-13H,3H2,1-2H3
InChIKeyOWFWJWJANOTWPD-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-[1-(ethylamino)ethyl]phenol 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

(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline
CID 63532672
1-[3-bromo-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
CID 62912275
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
CID 115781012
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 62912192
1-(3-bromo-4-octoxyphenyl)-N-ethylethanamine
CID 63533481
2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 81351567
1-[3-bromo-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]-N-ethylethanamine
CID 102925144
2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline
CID 63532676
1-[3-bromo-4-(4-ethylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 62908315

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-(ethylamino)ethyl]phenol?
The IUPAC name of 2-bromo-4-[1-(ethylamino)ethyl]phenol (CID 62910509) is 2-bromo-4-[1-(ethylamino)ethyl]phenol.
What is the SMILES notation for 2-bromo-4-[1-(ethylamino)ethyl]phenol?
The canonical SMILES for 2-bromo-4-[1-(ethylamino)ethyl]phenol is CCNC(C)c1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[1-(ethylamino)ethyl]phenol?
The InChIKey is OWFWJWJANOTWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-3-12-7(2)8-4-5-10(13)9(11)6-8/h4-7,12-13H,3H2,1-2H3.
What are the key properties of 2-bromo-4-[1-(ethylamino)ethyl]phenol?
2-bromo-4-[1-(ethylamino)ethyl]phenol has a molecular weight of 244.13 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-(ethylamino)ethyl]phenol is sourced from PubChem (CID 62910509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).