1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol

C17H29NO — CID 82315949

IUPAC1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(C)c1ccc(C(O)C(CC)NC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-13(5)14-8-10-15(11-9-14)17(19)16(7-2)18-12(3)4/h8-13,16-19H,6-7H2,1-5H3
InChIKeySXEVYQXHNIEJRC-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.01
Rot. Bonds7

About 1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol

1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 82315949) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID82315949
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(C)c1ccc(C(O)C(CC)NC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-13(5)14-8-10-15(11-9-14)17(19)16(7-2)18-12(3)4/h8-13,16-19H,6-7H2,1-5H3
InChIKeySXEVYQXHNIEJRC-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82313813
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
2-(ethylamino)-1-(4-propan-2-ylphenyl)butan-1-ol
CID 82312822
4-butan-2-yl-N-methylaniline
CID 22675641
1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315957
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
CID 43780446
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 82312888
5-(4-ethylphenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
CID 82347753
5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
CID 82347917
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-fluorobenzene
CID 11829648

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol (CID 82315949) is 1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol is CCC(C)c1ccc(C(O)C(CC)NC(C)C)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is SXEVYQXHNIEJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-13(5)14-8-10-15(11-9-14)17(19)16(7-2)18-12(3)4/h8-13,16-19H,6-7H2,1-5H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol?
1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 4.01, 7 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)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 82315949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).