1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride

C17H22ClNO — CID 170889351

IUPAC1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccccc1Oc1ccc(C)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-3-15(18)12-14-6-4-5-7-17(14)19-16-10-8-13(2)9-11-16;/h4-11,15H,3,12,18H2,1-2H3;1H
InChIKeyYIBOQEWXNDABGK-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.49
Rot. Bonds5

About 1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride

1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride (PubChem CID 170889351) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
PubChem CID170889351
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccccc1Oc1ccc(C)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-3-15(18)12-14-6-4-5-7-17(14)19-16-10-8-13(2)9-11-16;/h4-11,15H,3,12,18H2,1-2H3;1H
InChIKeyYIBOQEWXNDABGK-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dimethylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889352
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60908081
1-[2-(2-bromo-4-methylphenoxy)phenyl]butan-2-amine
CID 63802120
1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
CID 107661732
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804290
1-[4-(2-iodophenoxy)phenyl]butan-2-amine
CID 63802314
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
CID 63802262
2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol
CID 170892625
1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
CID 63802588
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride (CID 170889351) is 1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride is CCC(N)Cc1ccccc1Oc1ccc(C)cc1.Cl.
What is the InChIKey of 1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride?
The InChIKey is YIBOQEWXNDABGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-3-15(18)12-14-6-4-5-7-17(14)19-16-10-8-13(2)9-11-16;/h4-11,15H,3,12,18H2,1-2H3;1H.
What are the key properties of 1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride?
1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170889351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).