2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride

C18H24ClNO — CID 164606887

IUPAC2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride
SMILESCC(C)COc1ccc(-c2cccc(CCN)c2)cc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-14(2)13-20-18-8-6-16(7-9-18)17-5-3-4-15(12-17)10-11-19;/h3-9,12,14H,10-11,13,19H2,1-2H3;1H
InChIKeyJTWVMJPMOXEBCZ-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.31
Rot. Bonds6

About 2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride

2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride (PubChem CID 164606887) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride
PubChem CID164606887
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride
SMILESCC(C)COc1ccc(-c2cccc(CCN)c2)cc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-14(2)13-20-18-8-6-16(7-9-18)17-5-3-4-15(12-17)10-11-19;/h3-9,12,14H,10-11,13,19H2,1-2H3;1H
InChIKeyJTWVMJPMOXEBCZ-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol
CID 11695856
2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
2-[3-[8-[3-(2-aminoethyl)phenyl]-5-oxodibenzothiophen-2-yl]phenyl]ethanamine
CID 59268477
(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 171391010
diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
CID 177480590
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
1-buta-1,3-diynyl-4-[3-(2-methylpropoxy)phenyl]benzene
CID 139636207
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride (CID 164606887) is 2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride is CC(C)COc1ccc(-c2cccc(CCN)c2)cc1.Cl.
What is the InChIKey of 2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride?
The InChIKey is JTWVMJPMOXEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-14(2)13-20-18-8-6-16(7-9-18)17-5-3-4-15(12-17)10-11-19;/h3-9,12,14H,10-11,13,19H2,1-2H3;1H.
What are the key properties of 2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride?
2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 164606887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).