(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine

C15H15Cl2NO — CID 55190099

IUPAC(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-14(16)15(17)7-11/h2-8,10H,9,18H2,1H3/t10-/m1/s1
InChIKeyULPQDEFPDFWMHV-SNVBAGLBSA-N
MW296.20 g/mol
LogP4.59
Rot. Bonds4

About (1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine

(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine (PubChem CID 55190099) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is (1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
PubChem CID55190099
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-14(16)15(17)7-11/h2-8,10H,9,18H2,1H3/t10-/m1/s1
InChIKeyULPQDEFPDFWMHV-SNVBAGLBSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615235
(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 78930712
(1S)-1-[3-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 63368413
1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 60870530
3-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]benzonitrile
CID 55190628
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887242
5-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107879536

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine (CID 55190099) is (1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of (1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is ULPQDEFPDFWMHV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-14(16)15(17)7-11/h2-8,10H,9,18H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine?
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 55190099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).