(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine

C16H18ClNO2 — CID 78936759

IUPAC(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(Cl)cc1COc1ccccc1[C@H](C)N
InChIInChI=1S/C16H18ClNO2/c1-11(18)14-5-3-4-6-16(14)20-10-12-9-13(17)7-8-15(12)19-2/h3-9,11H,10,18H2,1-2H3/t11-/m0/s1
InChIKeyNLIHQDQVBOASJL-NSHDSACASA-N
MW291.78 g/mol
LogP3.95
Rot. Bonds5

About (1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine

(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 78936759) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is (1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID78936759
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(Cl)cc1COc1ccccc1[C@H](C)N
InChIInChI=1S/C16H18ClNO2/c1-11(18)14-5-3-4-6-16(14)20-10-12-9-13(17)7-8-15(12)19-2/h3-9,11H,10,18H2,1-2H3/t11-/m0/s1
InChIKeyNLIHQDQVBOASJL-NSHDSACASA-N
XLogP3.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
(1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 79555825
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine (CID 78936759) is (1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine is COc1ccc(Cl)cc1COc1ccccc1[C@H](C)N.
What is the InChIKey of (1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is NLIHQDQVBOASJL-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11(18)14-5-3-4-6-16(14)20-10-12-9-13(17)7-8-15(12)19-2/h3-9,11H,10,18H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine?
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78936759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).