(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine

C10H12ClNO — CID 131139061

IUPAC(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H12ClNO/c1-3-9(12)8-6-7(11)4-5-10(8)13-2/h3-6,9H,1,12H2,2H3/t9-/m1/s1
InChIKeySLLFVTGDRXTSOX-SECBINFHSA-N
MW197.66 g/mol
LogP2.53
Rot. Bonds3

About (1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine

(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine (PubChem CID 131139061) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
PubChem CID131139061
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H12ClNO/c1-3-9(12)8-6-7(11)4-5-10(8)13-2/h3-6,9H,1,12H2,2H3/t9-/m1/s1
InChIKeySLLFVTGDRXTSOX-SECBINFHSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.53
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

2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
CID 87888710
1-(5-chloro-2-methoxyphenyl)prop-2-enylhydrazine
CID 105318028
(1R)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171215027
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
(E)-4-amino-4-(5-chloro-2-methoxyphenyl)but-2-enoic acid
CID 116940825
(1S)-1-(5-chloro-2-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 130747269
2-(1-aminoprop-2-enyl)-4-chloroaniline
CID 55283411
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine (CID 131139061) is (1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine is C=C[C@@H](N)c1cc(Cl)ccc1OC.
What is the InChIKey of (1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is SLLFVTGDRXTSOX-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-9(12)8-6-7(11)4-5-10(8)13-2/h3-6,9H,1,12H2,2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine?
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 197.66 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 131139061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).