(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine

C11H14ClNO — CID 63366958

IUPAC(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine
SMILESC=C(Cl)COc1ccccc1[C@H](C)N
InChIInChI=1S/C11H14ClNO/c1-8(12)7-14-11-6-4-3-5-10(11)9(2)13/h3-6,9H,1,7,13H2,2H3/t9-/m0/s1
InChIKeyXJVAMFJWENSOSG-VIFPVBQESA-N
MW211.69 g/mol
LogP2.84
Rot. Bonds4

About (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine

(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine (PubChem CID 63366958) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine
PubChem CID63366958
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine
SMILESC=C(Cl)COc1ccccc1[C@H](C)N
InChIInChI=1S/C11H14ClNO/c1-8(12)7-14-11-6-4-3-5-10(11)9(2)13/h3-6,9H,1,7,13H2,2H3/t9-/m0/s1
InChIKeyXJVAMFJWENSOSG-VIFPVBQESA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine 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

(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63367642
N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 60882886
propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate
CID 78936379
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
CID 30118137
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930426
(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
CID 79004773
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine
CID 54929324
(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 63366086

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine (CID 63366958) is (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine is C=C(Cl)COc1ccccc1[C@H](C)N.
What is the InChIKey of (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine?
The InChIKey is XJVAMFJWENSOSG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8(12)7-14-11-6-4-3-5-10(11)9(2)13/h3-6,9H,1,7,13H2,2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine?
(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 63366958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).