(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine

C13H20FNO — CID 171200097

IUPAC(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc([C@H](N)CCC(C)C)c(F)c1
InChIInChI=1S/C13H20FNO/c1-9(2)4-7-13(15)11-6-5-10(16-3)8-12(11)14/h5-6,8-9,13H,4,7,15H2,1-3H3/t13-/m1/s1
InChIKeyFCACGQVWLJUWDD-CYBMUJFWSA-N
MW225.31 g/mol
LogP3.27
Rot. Bonds5

About (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine

(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine (PubChem CID 171200097) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
PubChem CID171200097
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc([C@H](N)CCC(C)C)c(F)c1
InChIInChI=1S/C13H20FNO/c1-9(2)4-7-13(15)11-6-5-10(16-3)8-12(11)14/h5-6,8-9,13H,4,7,15H2,1-3H3/t13-/m1/s1
InChIKeyFCACGQVWLJUWDD-CYBMUJFWSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-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

(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
1-(2-fluoro-4-methoxyphenyl)-4-methoxybutan-1-amine
CID 114856693
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 103397334
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 103395679
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine (CID 171200097) is (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine is COc1ccc([C@H](N)CCC(C)C)c(F)c1.
What is the InChIKey of (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine?
The InChIKey is FCACGQVWLJUWDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)4-7-13(15)11-6-5-10(16-3)8-12(11)14/h5-6,8-9,13H,4,7,15H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine?
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 171200097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).