4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol

C10H14BrNO2 — CID 83977179

IUPAC4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol
SMILESNCC(CO)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C10H14BrNO2/c11-9-4-7(1-2-10(9)14)3-8(5-12)6-13/h1-2,4,8,13-14H,3,5-6,12H2
InChIKeyWNBWGPKTAGQGDM-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.26
Rot. Bonds4

About 4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol

4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol (PubChem CID 83977179) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol
PubChem CID83977179
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol
SMILESNCC(CO)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C10H14BrNO2/c11-9-4-7(1-2-10(9)14)3-8(5-12)6-13/h1-2,4,8,13-14H,3,5-6,12H2
InChIKeyWNBWGPKTAGQGDM-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
2-bromo-4-(2-methylpropyl)phenol;hydrobromide
CID 162312266
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol
CID 115524491
4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol
CID 43117941
methyl 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoate
CID 86137905
2-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 60657425
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-bromophenol
CID 83972592
2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83926810
2-bromo-4-(3-hydroxypropyl)phenol
CID 101080758
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
2-(3-bromo-4-hydroxyphenyl)acetamide
CID 57224771

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol?
The IUPAC name of 4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol (CID 83977179) is 4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol.
What is the SMILES notation for 4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol?
The canonical SMILES for 4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol is NCC(CO)Cc1ccc(O)c(Br)c1.
What is the InChIKey of 4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol?
The InChIKey is WNBWGPKTAGQGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c11-9-4-7(1-2-10(9)14)3-8(5-12)6-13/h1-2,4,8,13-14H,3,5-6,12H2.
What are the key properties of 4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol?
4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol has a molecular weight of 260.13 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol is sourced from PubChem (CID 83977179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).