3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine

C18H23NO — CID 142070929

IUPAC3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine
SMILESCc1ccc(Oc2cccc(C(C)(N)C(C)C)c2)cc1
InChIInChI=1S/C18H23NO/c1-13(2)18(4,19)15-6-5-7-17(12-15)20-16-10-8-14(3)9-11-16/h5-13H,19H2,1-4H3
InChIKeyIJOSRJPVTRLMKO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.62
Rot. Bonds4

About 3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine

3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine (PubChem CID 142070929) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine
PubChem CID142070929
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine
SMILESCc1ccc(Oc2cccc(C(C)(N)C(C)C)c2)cc1
InChIInChI=1S/C18H23NO/c1-13(2)18(4,19)15-6-5-7-17(12-15)20-16-10-8-14(3)9-11-16/h5-13H,19H2,1-4H3
InChIKeyIJOSRJPVTRLMKO-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
3-[4-[4-(3-tert-butylphenoxy)phenyl]phenoxy]aniline
CID 143534956
1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol
CID 67530457
4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline
CID 116996629
2-(3-tert-butylphenoxy)-4-methylaniline
CID 26189582
2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine
CID 54233286
2-[3-(4-aminophenoxy)phenyl]-2-methylpropanenitrile
CID 116996664

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine?
The IUPAC name of 3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine (CID 142070929) is 3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine?
The canonical SMILES for 3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine is Cc1ccc(Oc2cccc(C(C)(N)C(C)C)c2)cc1.
What is the InChIKey of 3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine?
The InChIKey is IJOSRJPVTRLMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)18(4,19)15-6-5-7-17(12-15)20-16-10-8-14(3)9-11-16/h5-13H,19H2,1-4H3.
What are the key properties of 3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine?
3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 142070929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).