(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine

C16H19NO — CID 30079943

IUPAC(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccccc1COc1ccccc1[C@H](C)N
InChIInChI=1S/C16H19NO/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h3-10,13H,11,17H2,1-2H3/t13-/m0/s1
InChIKeyCPORAVUDQAJWNT-ZDUSSCGKSA-N
MW241.33 g/mol
LogP3.59
Rot. Bonds4

About (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine

(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 30079943) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID30079943
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccccc1COc1ccccc1[C@H](C)N
InChIInChI=1S/C16H19NO/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h3-10,13H,11,17H2,1-2H3/t13-/m0/s1
InChIKeyCPORAVUDQAJWNT-ZDUSSCGKSA-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

(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579
1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345723
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanamine
CID 60880695
2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid
CID 115461339
4-[[2-(1-aminoethyl)phenoxy]methyl]-3-methylbenzonitrile
CID 114479449
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78936718
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine (CID 30079943) is (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine is Cc1ccccc1COc1ccccc1[C@H](C)N.
What is the InChIKey of (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is CPORAVUDQAJWNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h3-10,13H,11,17H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine?
(1S)-1-[2-[(2-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 (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 30079943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).