1-phenyl-2-(2-propoxyphenyl)butan-2-amine

C19H25NO — CID 104659088

IUPAC1-phenyl-2-(2-propoxyphenyl)butan-2-amine
SMILESCCCOc1ccccc1C(N)(CC)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-3-14-21-18-13-9-8-12-17(18)19(20,4-2)15-16-10-6-5-7-11-16/h5-13H,3-4,14-15,20H2,1-2H3
InChIKeyGGSRJRIWKXFMIS-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.28
Rot. Bonds7

About 1-phenyl-2-(2-propoxyphenyl)butan-2-amine

1-phenyl-2-(2-propoxyphenyl)butan-2-amine (PubChem CID 104659088) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-phenyl-2-(2-propoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-phenyl-2-(2-propoxyphenyl)butan-2-amine
PubChem CID104659088
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-phenyl-2-(2-propoxyphenyl)butan-2-amine
SMILESCCCOc1ccccc1C(N)(CC)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-3-14-21-18-13-9-8-12-17(18)19(20,4-2)15-16-10-6-5-7-11-16/h5-13H,3-4,14-15,20H2,1-2H3
InChIKeyGGSRJRIWKXFMIS-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-phenylbutan-2-amine
CID 79007656
2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine
CID 79008649
1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659022
2-methyl-2-(2-propoxyphenyl)propanoic acid
CID 104662391
2-(2-fluorophenyl)-1-(3-methylphenyl)butan-2-amine
CID 112679642
1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659024
2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine
CID 79008004
1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659008
2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine
CID 104660723
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
CID 79007872
2-(3-fluoro-5-methylphenyl)-1-phenylbutan-2-amine
CID 79703833

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-propoxyphenyl)butan-2-amine?
The IUPAC name of 1-phenyl-2-(2-propoxyphenyl)butan-2-amine (CID 104659088) is 1-phenyl-2-(2-propoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-phenyl-2-(2-propoxyphenyl)butan-2-amine?
The canonical SMILES for 1-phenyl-2-(2-propoxyphenyl)butan-2-amine is CCCOc1ccccc1C(N)(CC)Cc1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-propoxyphenyl)butan-2-amine?
The InChIKey is GGSRJRIWKXFMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-14-21-18-13-9-8-12-17(18)19(20,4-2)15-16-10-6-5-7-11-16/h5-13H,3-4,14-15,20H2,1-2H3.
What are the key properties of 1-phenyl-2-(2-propoxyphenyl)butan-2-amine?
1-phenyl-2-(2-propoxyphenyl)butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-propoxyphenyl)butan-2-amine is sourced from PubChem (CID 104659088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).