[2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol

C17H20BrNO2 — CID 63653949

IUPAC[2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol
SMILESCCC(N)C(Oc1ccccc1CO)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-2-15(19)17(12-7-5-8-14(18)10-12)21-16-9-4-3-6-13(16)11-20/h3-10,15,17,20H,2,11,19H2,1H3
InChIKeyZYHGKQCJVQNXLM-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.80
Rot. Bonds6

About [2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol

[2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol (PubChem CID 63653949) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is [2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol
PubChem CID63653949
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name[2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol
SMILESCCC(N)C(Oc1ccccc1CO)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-2-15(19)17(12-7-5-8-14(18)10-12)21-16-9-4-3-6-13(16)11-20/h3-10,15,17,20H,2,11,19H2,1H3
InChIKeyZYHGKQCJVQNXLM-UHFFFAOYSA-N
XLogP3.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460434
1-(3-bromophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459762
1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
CID 63038140
1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
1-(3-bromophenyl)-1-butan-2-yloxybutan-2-amine
CID 55017913
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
1-(3-bromophenyl)-1-octoxybutan-2-amine
CID 63459741

Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol?
The IUPAC name of [2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol (CID 63653949) is [2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol.
What is the SMILES notation for [2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol?
The canonical SMILES for [2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol is CCC(N)C(Oc1ccccc1CO)c1cccc(Br)c1.
What is the InChIKey of [2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol?
The InChIKey is ZYHGKQCJVQNXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-2-15(19)17(12-7-5-8-14(18)10-12)21-16-9-4-3-6-13(16)11-20/h3-10,15,17,20H,2,11,19H2,1H3.
What are the key properties of [2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol?
[2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol has a molecular weight of 350.26 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol is sourced from PubChem (CID 63653949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).