1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol

C18H31NO — CID 82315957

IUPAC1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C(C)C)C(O)c1ccc(C(C)CC)cc1
InChIInChI=1S/C18H31NO/c1-6-12-19-17(13(3)4)18(20)16-10-8-15(9-11-16)14(5)7-2/h8-11,13-14,17-20H,6-7,12H2,1-5H3
InChIKeyBTFXRLJNJJQPQO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.26
Rot. Bonds8

About 1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol

1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol (PubChem CID 82315957) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol
PubChem CID82315957
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C(C)C)C(O)c1ccc(C(C)CC)cc1
InChIInChI=1S/C18H31NO/c1-6-12-19-17(13(3)4)18(20)16-10-8-15(9-11-16)14(5)7-2/h8-11,13-14,17-20H,6-7,12H2,1-5H3
InChIKeyBTFXRLJNJJQPQO-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062
2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312422
1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine
CID 82262358
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
CID 82314059
2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 82313385
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315949
2-[2-(2-hydroxyethoxy)ethylamino]-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312437
1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107664180
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
CID 82313150

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol (CID 82315957) is 1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol is CCCNC(C(C)C)C(O)c1ccc(C(C)CC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol?
The InChIKey is BTFXRLJNJJQPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-12-19-17(13(3)4)18(20)16-10-8-15(9-11-16)14(5)7-2/h8-11,13-14,17-20H,6-7,12H2,1-5H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol?
1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 82315957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).