(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine

C14H21BrN2 — CID 78935793

IUPAC(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCN(c2ccc([C@H](C)N)cc2Br)CC1
InChIInChI=1S/C14H21BrN2/c1-10-5-7-17(8-6-10)14-4-3-12(11(2)16)9-13(14)15/h3-4,9-11H,5-8,16H2,1-2H3/t11-/m0/s1
InChIKeyOQHFJIGBXGTBMI-NSHDSACASA-N
MW297.24 g/mol
LogP3.71
Rot. Bonds2

About (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine

(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 78935793) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID78935793
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCN(c2ccc([C@H](C)N)cc2Br)CC1
InChIInChI=1S/C14H21BrN2/c1-10-5-7-17(8-6-10)14-4-3-12(11(2)16)9-13(14)15/h3-4,9-11H,5-8,16H2,1-2H3/t11-/m0/s1
InChIKeyOQHFJIGBXGTBMI-NSHDSACASA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)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

(1S)-1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63624095
(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 104874422
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
CID 102958923
(1S)-1-[3-bromo-4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 63368310
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 78935877
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
(1S)-1-[3-bromo-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937425
(1S)-1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102959008
(1S)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanamine
CID 78992773
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 62911018
1-[4-[4-(1-aminoethyl)-2-bromophenyl]piperazin-1-yl]ethanone
CID 62907807

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine (CID 78935793) is (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine is CC1CCN(c2ccc([C@H](C)N)cc2Br)CC1.
What is the InChIKey of (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is OQHFJIGBXGTBMI-NSHDSACASA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-5-7-17(8-6-10)14-4-3-12(11(2)16)9-13(14)15/h3-4,9-11H,5-8,16H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 297.24 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78935793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).