2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol

C14H22BrNO2 — CID 83926083

IUPAC2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-3-11(6-10(8-16)9-17)12-4-5-14(18-2)13(15)7-12/h4-5,7,10-11,17H,3,6,8-9,16H2,1-2H3
InChIKeyGKLRWGVFEVTAAE-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.91
Rot. Bonds7

About 2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol

2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol (PubChem CID 83926083) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol
PubChem CID83926083
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-3-11(6-10(8-16)9-17)12-4-5-14(18-2)13(15)7-12/h4-5,7,10-11,17H,3,6,8-9,16H2,1-2H3
InChIKeyGKLRWGVFEVTAAE-UHFFFAOYSA-N
XLogP2.91
TPSA55.48 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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
CID 83932187
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol
CID 83922113
2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine
CID 66072986
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 54904858
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 54905229
3-amino-1-(3-bromo-4-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 79135603
2-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]butan-1-ol
CID 116959867
2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
CID 83937477

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol (CID 83926083) is 2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol is CCC(CC(CN)CO)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol?
The InChIKey is GKLRWGVFEVTAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-3-11(6-10(8-16)9-17)12-4-5-14(18-2)13(15)7-12/h4-5,7,10-11,17H,3,6,8-9,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol?
2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol has a molecular weight of 316.24 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol is sourced from PubChem (CID 83926083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).