N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine

C14H22FNO2 — CID 28720966

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCN[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-12(13-4-6-14(15)7-5-13)16-8-3-9-18-11-10-17-2/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m1/s1
InChIKeyYLWXDNGWJBTMHS-GFCCVEGCSA-N
MW255.33 g/mol
LogP2.53
Rot. Bonds9

About N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 28720966) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID28720966
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCN[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-12(13-4-6-14(15)7-5-13)16-8-3-9-18-11-10-17-2/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m1/s1
InChIKeyYLWXDNGWJBTMHS-GFCCVEGCSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 113219272
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43206900
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206853
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115879210
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81348232
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103780222
1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989639
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine (CID 28720966) is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCN[C@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is YLWXDNGWJBTMHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-12(13-4-6-14(15)7-5-13)16-8-3-9-18-11-10-17-2/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 28720966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).