N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine

Name: N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₈FN — CID 89030881

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

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine

SMILESCCN(Cc1cccc(F)c1)C(C)C

InChIInChI=1S/C12H18FN/c1-4-14(10(2)3)9-11-6-5-7-12(13)8-11/h5-8,10H,4,9H2,1-3H3

InChIKeyIRGKKNYIMPPLJF-UHFFFAOYSA-N

MW195.28 g/mol

LogP3.06

Rot. Bonds4

About N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine

N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine (PubChem CID 89030881) has the molecular formula C₁₂H₁₈FN and a molecular weight of 195.28 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name	N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine
PubChem CID	89030881
Molecular Formula	C₁₂H₁₈FN
Molecular Weight	195.28 g/mol
Exact Mass	195.14
IUPAC Name	N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine
SMILES	CCN(Cc1cccc(F)c1)C(C)C
InChI	InChI=1S/C12H18FN/c1-4-14(10(2)3)9-11-6-5-7-12(13)8-11/h5-8,10H,4,9H2,1-3H3
InChIKey	IRGKKNYIMPPLJF-UHFFFAOYSA-N
XLogP	3.06
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	4
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.28
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine?

The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine (CID 89030881) is N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine.

What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine?

The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine is CCN(Cc1cccc(F)c1)C(C)C.

What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine?

The InChIKey is IRGKKNYIMPPLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-14(10(2)3)9-11-6-5-7-12(13)8-11/h5-8,10H,4,9H2,1-3H3.

What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine?

N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[(3-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 89030881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 89030881 — identifiers, structure, computed properties (public domain)

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