1-(3-methyl-4-phenoxyphenyl)butan-2-amine

C17H21NO — CID 63803795

IUPAC1-(3-methyl-4-phenoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccccc2)c(C)c1
InChIInChI=1S/C17H21NO/c1-3-15(18)12-14-9-10-17(13(2)11-14)19-16-7-5-4-6-8-16/h4-11,15H,3,12,18H2,1-2H3
InChIKeyGQFNLQMPPBQUKW-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.07
Rot. Bonds5

About 1-(3-methyl-4-phenoxyphenyl)butan-2-amine

1-(3-methyl-4-phenoxyphenyl)butan-2-amine (PubChem CID 63803795) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3-methyl-4-phenoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-4-phenoxyphenyl)butan-2-amine
PubChem CID63803795
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(3-methyl-4-phenoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccccc2)c(C)c1
InChIInChI=1S/C17H21NO/c1-3-15(18)12-14-9-10-17(13(2)11-14)19-16-7-5-4-6-8-16/h4-11,15H,3,12,18H2,1-2H3
InChIKeyGQFNLQMPPBQUKW-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine
CID 63803633
1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine
CID 63803492
1-[4-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149
1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63817540
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine
CID 63941760
1-[4-(5-bromo-2-fluorophenoxy)-3-methylphenyl]butan-2-amine
CID 114677110
1-[3-chloro-4-(4-ethylphenoxy)phenyl]butan-2-amine
CID 81159953
1-[4-(2-iodophenoxy)phenyl]butan-2-amine
CID 63802314

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenoxyphenyl)butan-2-amine?
The IUPAC name of 1-(3-methyl-4-phenoxyphenyl)butan-2-amine (CID 63803795) is 1-(3-methyl-4-phenoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-methyl-4-phenoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(3-methyl-4-phenoxyphenyl)butan-2-amine is CCC(N)Cc1ccc(Oc2ccccc2)c(C)c1.
What is the InChIKey of 1-(3-methyl-4-phenoxyphenyl)butan-2-amine?
The InChIKey is GQFNLQMPPBQUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-15(18)12-14-9-10-17(13(2)11-14)19-16-7-5-4-6-8-16/h4-11,15H,3,12,18H2,1-2H3.
What are the key properties of 1-(3-methyl-4-phenoxyphenyl)butan-2-amine?
1-(3-methyl-4-phenoxyphenyl)butan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-phenoxyphenyl)butan-2-amine is sourced from PubChem (CID 63803795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).