(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride

C15H18ClNO — CID 164614673

IUPAC(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
SMILESCc1ccccc1OC[C@@H](N)c1ccccc1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13;/h2-10,14H,11,16H2,1H3;1H/t14-;/m1./s1
InChIKeyJUOBQPADTNROID-PFEQFJNWSA-N
MW263.77 g/mol
LogP3.50
Rot. Bonds4

About (1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride

(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride (PubChem CID 164614673) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
PubChem CID164614673
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
SMILESCc1ccccc1OC[C@@H](N)c1ccccc1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13;/h2-10,14H,11,16H2,1H3;1H/t14-;/m1./s1
InChIKeyJUOBQPADTNROID-PFEQFJNWSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-(2-ethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162317712
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
2-(2-butan-2-ylphenoxy)-1-phenylethanamine
CID 43099395
1-(1,3-benzodioxol-5-yl)-2-(2-methylphenoxy)ethanamine
CID 16789877
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950402
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine
CID 63772583
1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride?
The IUPAC name of (1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride (CID 164614673) is (1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride?
The canonical SMILES for (1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride is Cc1ccccc1OC[C@@H](N)c1ccccc1.Cl.
What is the InChIKey of (1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride?
The InChIKey is JUOBQPADTNROID-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13;/h2-10,14H,11,16H2,1H3;1H/t14-;/m1./s1.
What are the key properties of (1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride?
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 164614673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).