1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine

C19H33NO — CID 107664180

IUPAC1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(COc1ccc(C(C)CC)cc1)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-7-13-20-18(19(4,5)6)14-21-17-11-9-16(10-12-17)15(3)8-2/h9-12,15,18,20H,7-8,13-14H2,1-6H3
InChIKeyCIXLIKXCVHOAFI-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.99
Rot. Bonds8

About 1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine

1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 107664180) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID107664180
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(COc1ccc(C(C)CC)cc1)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-7-13-20-18(19(4,5)6)14-21-17-11-9-16(10-12-17)15(3)8-2/h9-12,15,18,20H,7-8,13-14H2,1-6H3
InChIKeyCIXLIKXCVHOAFI-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475047
1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 62335575
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107656957
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
(2S)-N-[3-[4-[(2R)-butan-2-yl]phenoxy]propyl]butan-2-amine
CID 2182699
2-[(4-butan-2-ylphenoxy)methyl]butane-1-thiol
CID 107669472
6-(4-bromophenoxy)-2,2-dimethyl-N-propylhexan-3-amine
CID 63399776
1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315957
3-(4-butan-2-ylphenoxy)-2,2-dimethylpropane-1-thiol
CID 107669469

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine (CID 107664180) is 1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(COc1ccc(C(C)CC)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is CIXLIKXCVHOAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-13-20-18(19(4,5)6)14-21-17-11-9-16(10-12-17)15(3)8-2/h9-12,15,18,20H,7-8,13-14H2,1-6H3.
What are the key properties of 1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 107664180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).