1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine

C18H23NO — CID 63941760

IUPAC1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Oc2cc(C)ccc2C)c1
InChIInChI=1S/C18H23NO/c1-4-16(19)11-15-6-5-7-17(12-15)20-18-10-13(2)8-9-14(18)3/h5-10,12,16H,4,11,19H2,1-3H3
InChIKeyAFCXBKDKLMPMMX-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.38
Rot. Bonds5

About 1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine

1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine (PubChem CID 63941760) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine
PubChem CID63941760
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Oc2cc(C)ccc2C)c1
InChIInChI=1S/C18H23NO/c1-4-16(19)11-15-6-5-7-17(12-15)20-18-10-13(2)8-9-14(18)3/h5-10,12,16H,4,11,19H2,1-3H3
InChIKeyAFCXBKDKLMPMMX-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine
CID 102990384
1-[3-(2-chloro-5-methylphenoxy)phenyl]butan-2-amine
CID 63943720
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
CID 63802262
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
1-[3-(4-bromo-2-chlorophenoxy)phenyl]butan-2-amine
CID 63942550
1-[3-(2,5-difluorophenoxy)phenyl]butan-2-amine
CID 63944119
1-[3-(3,4-difluorophenoxy)-4-methylphenyl]butan-2-amine
CID 105411167
1-[4-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
1-[3-(3,5-dichlorophenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889011
1-[4-methyl-3-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 105411210
1-[3-(4-chloro-3-fluorophenoxy)phenyl]butan-2-amine
CID 82727397

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine (CID 63941760) is 1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(Oc2cc(C)ccc2C)c1.
What is the InChIKey of 1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine?
The InChIKey is AFCXBKDKLMPMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-16(19)11-15-6-5-7-17(12-15)20-18-10-13(2)8-9-14(18)3/h5-10,12,16H,4,11,19H2,1-3H3.
What are the key properties of 1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine?
1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 63941760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).