(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine

C10H15FN2O — CID 171205851

IUPAC(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
SMILESCOc1cc([C@H](N)CCN)ccc1F
InChIInChI=1S/C10H15FN2O/c1-14-10-6-7(2-3-8(10)11)9(13)4-5-12/h2-3,6,9H,4-5,12-13H2,1H3/t9-/m1/s1
InChIKeyJDYMVOYJLGGACG-SECBINFHSA-N
MW198.24 g/mol
LogP1.18
Rot. Bonds4

About (1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine

(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine (PubChem CID 171205851) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is (1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
PubChem CID171205851
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
SMILESCOc1cc([C@H](N)CCN)ccc1F
InChIInChI=1S/C10H15FN2O/c1-14-10-6-7(2-3-8(10)11)9(13)4-5-12/h2-3,6,9H,4-5,12-13H2,1H3/t9-/m1/s1
InChIKeyJDYMVOYJLGGACG-SECBINFHSA-N
XLogP1.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855
(4S)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol
CID 171225472
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171205896
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
3-amino-3-(4-fluoro-3-methoxyphenyl)propanenitrile
CID 55297807
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 81284853
methyl (3S)-3-amino-3-(4-fluoro-3-methoxyphenyl)propanoate;hydrochloride
CID 171241570

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine (CID 171205851) is (1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine is COc1cc([C@H](N)CCN)ccc1F.
What is the InChIKey of (1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine?
The InChIKey is JDYMVOYJLGGACG-SECBINFHSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-14-10-6-7(2-3-8(10)11)9(13)4-5-12/h2-3,6,9H,4-5,12-13H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine?
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine has a molecular weight of 198.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 171205851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).