(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride

C15H18ClNO — CID 71758033

IUPAC(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13;/h2-10,12H,11,16H2,1H3;1H/t12-;/m0./s1
InChIKeyMGOKOLBJBKBTSX-YDALLXLXSA-N
MW263.77 g/mol
LogP3.71
Rot. Bonds4

About (1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride

(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride (PubChem CID 71758033) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
PubChem CID71758033
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13;/h2-10,12H,11,16H2,1H3;1H/t12-;/m0./s1
InChIKeyMGOKOLBJBKBTSX-YDALLXLXSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973755
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
CID 60879192
2-(2-phenylmethoxyphenyl)butane-1,3-diamine
CID 57280204
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
1-[2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 60880324
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171214268
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride (CID 71758033) is (1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride is C[C@H](N)c1ccccc1OCc1ccccc1.Cl.
What is the InChIKey of (1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is MGOKOLBJBKBTSX-YDALLXLXSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13;/h2-10,12H,11,16H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride?
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 71758033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).