(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine

C13H20FNO — CID 7047069

IUPAC(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
SMILESCOCCCN[C@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-11(15-8-3-9-16-2)10-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3/t11-/m1/s1
InChIKeyVHCIDBKWWKYQDV-LLVKDONJSA-N
MW225.31 g/mol
LogP2.38
Rot. Bonds7

About (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine

(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine (PubChem CID 7047069) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
PubChem CID7047069
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
SMILESCOCCCN[C@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-11(15-8-3-9-16-2)10-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3/t11-/m1/s1
InChIKeyVHCIDBKWWKYQDV-LLVKDONJSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
CID 115705142
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
CID 103910375
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
CID 165377968
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199
1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989898
1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine
CID 114829611
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine?
The IUPAC name of (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine (CID 7047069) is (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine is COCCCN[C@H](C)Cc1ccc(F)cc1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine?
The InChIKey is VHCIDBKWWKYQDV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20FNO/c1-11(15-8-3-9-16-2)10-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine?
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine is sourced from PubChem (CID 7047069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).