(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride

C10H13ClFNO — CID 171205858

IUPAC(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccc(F)c(OC)c1.Cl
InChIInChI=1S/C10H12FNO.ClH/c1-3-9(12)7-4-5-8(11)10(6-7)13-2;/h3-6,9H,1,12H2,2H3;1H/t9-;/m1./s1
InChIKeyDMVKYIMSIZVNPQ-SBSPUUFOSA-N
MW217.67 g/mol
LogP2.44
Rot. Bonds3

About (1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride

(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride (PubChem CID 171205858) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is (1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
PubChem CID171205858
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccc(F)c(OC)c1.Cl
InChIInChI=1S/C10H12FNO.ClH/c1-3-9(12)7-4-5-8(11)10(6-7)13-2;/h3-6,9H,1,12H2,2H3;1H/t9-;/m1./s1
InChIKeyDMVKYIMSIZVNPQ-SBSPUUFOSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171210030
(1S)-1-(4-chloro-3-methoxyphenyl)prop-2-en-1-amine
CID 55270647
4-[(1S)-1-aminoprop-2-enyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219306
(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171215724
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55278214
1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55271412
(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile
CID 130723637
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171205896
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
(1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride
CID 162344451

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride (CID 171205858) is (1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1ccc(F)c(OC)c1.Cl.
What is the InChIKey of (1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is DMVKYIMSIZVNPQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12FNO.ClH/c1-3-9(12)7-4-5-8(11)10(6-7)13-2;/h3-6,9H,1,12H2,2H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 217.67 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171205858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).