(1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine

C14H18BrN3O — CID 102999821

IUPAC(1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cc(Br)ccc1OCCc1ccnn1C
InChIInChI=1S/C14H18BrN3O/c1-10(16)13-9-11(15)3-4-14(13)19-8-6-12-5-7-17-18(12)2/h3-5,7,9-10H,6,8,16H2,1-2H3/t10-/m0/s1
InChIKeyCBXRXQSQPSQXTF-JTQLQIEISA-N
MW324.22 g/mol
LogP2.82
Rot. Bonds5

About (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine

(1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine (PubChem CID 102999821) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
PubChem CID102999821
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name(1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cc(Br)ccc1OCCc1ccnn1C
InChIInChI=1S/C14H18BrN3O/c1-10(16)13-9-11(15)3-4-14(13)19-8-6-12-5-7-17-18(12)2/h3-5,7,9-10H,6,8,16H2,1-2H3/t10-/m0/s1
InChIKeyCBXRXQSQPSQXTF-JTQLQIEISA-N
XLogP2.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine 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

(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999823
5-[2-(5-bromo-2-chlorophenoxy)ethyl]-1-methylpyrazole
CID 103002806
(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 78937362
4-bromo-3-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 103009202
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
(1R)-1-[3-methyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003603
5-[2-[2-(bromomethyl)-4-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003791
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
(1S)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1S)-1-[5-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863285
(E)-3-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]prop-2-enoic acid
CID 103003827

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine (CID 102999821) is (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine is C[C@H](N)c1cc(Br)ccc1OCCc1ccnn1C.
What is the InChIKey of (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The InChIKey is CBXRXQSQPSQXTF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-10(16)13-9-11(15)3-4-14(13)19-8-6-12-5-7-17-18(12)2/h3-5,7,9-10H,6,8,16H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
(1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine has a molecular weight of 324.22 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 102999821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).