4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol

C16H19BrN2O — CID 62630585

IUPAC4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol
SMILESCN(CCC(N)c1ccccc1Br)c1ccc(O)cc1
InChIInChI=1S/C16H19BrN2O/c1-19(12-6-8-13(20)9-7-12)11-10-16(18)14-4-2-3-5-15(14)17/h2-9,16,20H,10-11,18H2,1H3
InChIKeyHANPKYONESLZNW-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.68
Rot. Bonds5

About 4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol

4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol (PubChem CID 62630585) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol
PubChem CID62630585
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol
SMILESCN(CCC(N)c1ccccc1Br)c1ccc(O)cc1
InChIInChI=1S/C16H19BrN2O/c1-19(12-6-8-13(20)9-7-12)11-10-16(18)14-4-2-3-5-15(14)17/h2-9,16,20H,10-11,18H2,1H3
InChIKeyHANPKYONESLZNW-UHFFFAOYSA-N
XLogP3.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071
1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493719
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168
1-(2-bromophenyl)-N'-ethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 63494059
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625043
4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol
CID 62630754
N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630979
1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62630300
1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 106645991
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol?
The IUPAC name of 4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol (CID 62630585) is 4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol.
What is the SMILES notation for 4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol?
The canonical SMILES for 4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol is CN(CCC(N)c1ccccc1Br)c1ccc(O)cc1.
What is the InChIKey of 4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol?
The InChIKey is HANPKYONESLZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-19(12-6-8-13(20)9-7-12)11-10-16(18)14-4-2-3-5-15(14)17/h2-9,16,20H,10-11,18H2,1H3.
What are the key properties of 4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol?
4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol has a molecular weight of 335.25 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol is sourced from PubChem (CID 62630585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).