1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol

Name: 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₇F₂NO₂ — CID 63933180

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

IUPAC1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol

SMILESCCOCC(O)CNCc1ccc(F)c(F)c1

InChIInChI=1S/C12H17F2NO2/c1-2-17-8-10(16)7-15-6-9-3-4-11(13)12(14)5-9/h3-5,10,15-16H,2,6-8H2,1H3

InChIKeyHAAICZBRRLZBMC-UHFFFAOYSA-N

MW245.27 g/mol

LogP1.45

Rot. Bonds7

About 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol

1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol (PubChem CID 63933180) has the molecular formula C₁₂H₁₇F₂NO₂ and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name	1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol
PubChem CID	63933180
Molecular Formula	C₁₂H₁₇F₂NO₂
Molecular Weight	245.27 g/mol
Exact Mass	245.12
IUPAC Name	1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol
SMILES	CCOCC(O)CNCc1ccc(F)c(F)c1
InChI	InChI=1S/C12H17F2NO2/c1-2-17-8-10(16)7-15-6-9-3-4-11(13)12(14)5-9/h3-5,10,15-16H,2,6-8H2,1H3
InChIKey	HAAICZBRRLZBMC-UHFFFAOYSA-N
XLogP	1.45
TPSA	41.49 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	7
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.27
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol?

The IUPAC name of 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol (CID 63933180) is 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol.

What is the SMILES notation for 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol?

The canonical SMILES for 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol is CCOCC(O)CNCc1ccc(F)c(F)c1.

What is the InChIKey of 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol?

The InChIKey is HAAICZBRRLZBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-2-17-8-10(16)7-15-6-9-3-4-11(13)12(14)5-9/h3-5,10,15-16H,2,6-8H2,1H3.

What are the key properties of 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol?

1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol has a molecular weight of 245.27 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63933180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63933180 — identifiers, structure, computed properties (public domain)

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