(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine

C15H16ClNO — CID 63367090

IUPAC(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11(17)14-7-2-3-8-15(14)18-10-12-5-4-6-13(16)9-12/h2-9,11H,10,17H2,1H3/t11-/m1/s1
InChIKeyRKYAVCJXUMPULC-LLVKDONJSA-N
MW261.75 g/mol
LogP3.94
Rot. Bonds4

About (1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine

(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine (PubChem CID 63367090) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
PubChem CID63367090
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11(17)14-7-2-3-8-15(14)18-10-12-5-4-6-13(16)9-12/h2-9,11H,10,17H2,1H3/t11-/m1/s1
InChIKeyRKYAVCJXUMPULC-LLVKDONJSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947420
methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate
CID 125466806
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973755
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78936759
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride
CID 120501253

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine (CID 63367090) is (1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1ccccc1OCc1cccc(Cl)c1.
What is the InChIKey of (1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is RKYAVCJXUMPULC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11(17)14-7-2-3-8-15(14)18-10-12-5-4-6-13(16)9-12/h2-9,11H,10,17H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine?
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63367090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).