1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine

C16H25BrN2O2 — CID 61392419

IUPAC1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Br)c1OCCN1CCOCC1
InChIInChI=1S/C16H25BrN2O2/c1-2-14(18)12-13-4-3-5-15(17)16(13)21-11-8-19-6-9-20-10-7-19/h3-5,14H,2,6-12,18H2,1H3
InChIKeyDZPAVGYTGYDBOP-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.44
Rot. Bonds7

About 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine

1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine (PubChem CID 61392419) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
PubChem CID61392419
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Br)c1OCCN1CCOCC1
InChIInChI=1S/C16H25BrN2O2/c1-2-14(18)12-13-4-3-5-15(17)16(13)21-11-8-19-6-9-20-10-7-19/h3-5,14H,2,6-12,18H2,1H3
InChIKeyDZPAVGYTGYDBOP-UHFFFAOYSA-N
XLogP2.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine 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

1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
CID 115958037
1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 79171162
1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 107701557
1-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79796010
1-[3-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 61390224
4-[2-(2-aminobutyl)-6-bromophenoxy]-N-methylbutanamide
CID 63890179
[3-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43174640
3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214
N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955088
methyl 3-[2-(2-aminobutyl)-6-bromophenoxy]-2,2-dimethylpropanoate
CID 79621529
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine (CID 61392419) is 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(Br)c1OCCN1CCOCC1.
What is the InChIKey of 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine?
The InChIKey is DZPAVGYTGYDBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-2-14(18)12-13-4-3-5-15(17)16(13)21-11-8-19-6-9-20-10-7-19/h3-5,14H,2,6-12,18H2,1H3.
What are the key properties of 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine?
1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine has a molecular weight of 357.29 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 61392419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).