(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine

C11H13Cl2NO — CID 79168187

IUPAC(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCC(Cl)=CCl)cc1
InChIInChI=1S/C11H13Cl2NO/c1-8(14)9-2-4-11(5-3-9)15-7-10(13)6-12/h2-6,8H,7,14H2,1H3/t8-/m1/s1
InChIKeyNHXMSWBSHGQUDA-MRVPVSSYSA-N
MW246.14 g/mol
LogP3.40
Rot. Bonds4

About (1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine

(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine (PubChem CID 79168187) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is (1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
PubChem CID79168187
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCC(Cl)=CCl)cc1
InChIInChI=1S/C11H13Cl2NO/c1-8(14)9-2-4-11(5-3-9)15-7-10(13)6-12/h2-6,8H,7,14H2,1H3/t8-/m1/s1
InChIKeyNHXMSWBSHGQUDA-MRVPVSSYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
CID 572020
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol
CID 115495734
(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718553
1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene
CID 79168528
2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79173371
4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 80979145
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367621

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine (CID 79168187) is (1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(OCC(Cl)=CCl)cc1.
What is the InChIKey of (1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
The InChIKey is NHXMSWBSHGQUDA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-8(14)9-2-4-11(5-3-9)15-7-10(13)6-12/h2-6,8H,7,14H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine has a molecular weight of 246.14 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 79168187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).