3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol

Name: 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₈BrNOS — CID 65187866

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol

SMILESCCc1ccc(C(O)C(CN)c2cccc(Br)c2)s1

InChIInChI=1S/C15H18BrNOS/c1-2-12-6-7-14(19-12)15(18)13(9-17)10-4-3-5-11(16)8-10/h3-8,13,15,18H,2,9,17H2,1H3

InChIKeyGXAZYQJALSQENE-UHFFFAOYSA-N

MW340.29 g/mol

LogP3.85

Rot. Bonds5

About 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol

3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol (PubChem CID 65187866) has the molecular formula C₁₅H₁₈BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name	3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
PubChem CID	65187866
Molecular Formula	C₁₅H₁₈BrNOS
Molecular Weight	340.29 g/mol
Exact Mass	339.03
IUPAC Name	3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
SMILES	CCc1ccc(C(O)C(CN)c2cccc(Br)c2)s1
InChI	InChI=1S/C15H18BrNOS/c1-2-12-6-7-14(19-12)15(18)13(9-17)10-4-3-5-11(16)8-10/h3-8,13,15,18H,2,9,17H2,1H3
InChIKey	GXAZYQJALSQENE-UHFFFAOYSA-N
XLogP	3.85
TPSA	46.25 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.29
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?

The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol (CID 65187866) is 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol.

What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?

The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol is CCc1ccc(C(O)C(CN)c2cccc(Br)c2)s1.

What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?

The InChIKey is GXAZYQJALSQENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-2-12-6-7-14(19-12)15(18)13(9-17)10-4-3-5-11(16)8-10/h3-8,13,15,18H,2,9,17H2,1H3.

What are the key properties of 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?

3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol has a molecular weight of 340.29 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65187866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 65187866 — identifiers, structure, computed properties (public domain)

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