N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine

C12H18FNO — CID 43205059

IUPACN-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNC(C)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-10(14-8-5-9-15-2)11-6-3-4-7-12(11)13/h3-4,6-7,10,14H,5,8-9H2,1-2H3
InChIKeyTVQWGXYAWDBLDI-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.51
Rot. Bonds6

About N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine

N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine (PubChem CID 43205059) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
PubChem CID43205059
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNC(C)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-10(14-8-5-9-15-2)11-6-3-4-7-12(11)13/h3-4,6-7,10,14H,5,8-9H2,1-2H3
InChIKeyTVQWGXYAWDBLDI-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81380351
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 132649493
3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700216
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile
CID 81380757
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206853
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81379781
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanenitrile
CID 28728329
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81380915
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine (CID 43205059) is N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine is COCCCNC(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is TVQWGXYAWDBLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10(14-8-5-9-15-2)11-6-3-4-7-12(11)13/h3-4,6-7,10,14H,5,8-9H2,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine?
N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 43205059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).