(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine

C16H19NO — CID 30123362

IUPAC(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cccc(COc2cccc([C@@H](C)N)c2)c1
InChIInChI=1S/C16H19NO/c1-12-5-3-6-14(9-12)11-18-16-8-4-7-15(10-16)13(2)17/h3-10,13H,11,17H2,1-2H3/t13-/m1/s1
InChIKeyBHHUPTSFIWAKDU-CYBMUJFWSA-N
MW241.33 g/mol
LogP3.59
Rot. Bonds4

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

(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 30123362) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID30123362
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cccc(COc2cccc([C@@H](C)N)c2)c1
InChIInChI=1S/C16H19NO/c1-12-5-3-6-14(9-12)11-18-16-8-4-7-15(10-16)13(2)17/h3-10,13H,11,17H2,1-2H3/t13-/m1/s1
InChIKeyBHHUPTSFIWAKDU-CYBMUJFWSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]benzonitrile
CID 55190628
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78936316
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 78930712
(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51993062
(1S)-1-[3-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 63368413

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine (CID 30123362) is (1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine is Cc1cccc(COc2cccc([C@@H](C)N)c2)c1.
What is the InChIKey of (1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is BHHUPTSFIWAKDU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-5-3-6-14(9-12)11-18-16-8-4-7-15(10-16)13(2)17/h3-10,13H,11,17H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine?
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.59, 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-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 30123362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).