[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine

C10H10Cl3NO — CID 60890014

IUPAC[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OC/C=C/Cl
InChIInChI=1S/C10H10Cl3NO/c11-2-1-3-15-10-7(6-14)4-8(12)5-9(10)13/h1-2,4-5H,3,6,14H2/b2-1+
InChIKeyRAKLISPBIFBALQ-OWOJBTEDSA-N
MW266.55 g/mol
LogP3.58
Rot. Bonds4

About [3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine

[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine (PubChem CID 60890014) has the molecular formula C10H10Cl3NO and a molecular weight of 266.55 g/mol. Its IUPAC name is [3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
PubChem CID60890014
Molecular FormulaC10H10Cl3NO
Molecular Weight266.55 g/mol
Exact Mass264.98
IUPAC Name[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OC/C=C/Cl
InChIInChI=1S/C10H10Cl3NO/c11-2-1-3-15-10-7(6-14)4-8(12)5-9(10)13/h1-2,4-5H,3,6,14H2/b2-1+
InChIKeyRAKLISPBIFBALQ-OWOJBTEDSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
CID 60890207
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
4-[2-(aminomethyl)-4,6-dichlorophenoxy]butanenitrile
CID 60888481
[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine
CID 62104008
[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
CID 107305827
4-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891161
[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103409014
3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902059
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine
CID 54793716
[6-(3-chloroprop-2-enoxy)-1,3-benzodioxol-5-yl]methanamine
CID 76912838
[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63264977

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
The IUPAC name of [3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine (CID 60890014) is [3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine is NCc1cc(Cl)cc(Cl)c1OC/C=C/Cl.
What is the InChIKey of [3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
The InChIKey is RAKLISPBIFBALQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c11-2-1-3-15-10-7(6-14)4-8(12)5-9(10)13/h1-2,4-5H,3,6,14H2/b2-1+.
What are the key properties of [3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine has a molecular weight of 266.55 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine is sourced from PubChem (CID 60890014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).