1-amino-2-(4-propan-2-ylphenyl)decan-3-ol

C19H33NO — CID 65189275

IUPAC1-amino-2-(4-propan-2-ylphenyl)decan-3-ol
SMILESCCCCCCCC(O)C(CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H33NO/c1-4-5-6-7-8-9-19(21)18(14-20)17-12-10-16(11-13-17)15(2)3/h10-13,15,18-19,21H,4-9,14,20H2,1-3H3
InChIKeyMUPQMIPTCDPCEF-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.57
Rot. Bonds10

About 1-amino-2-(4-propan-2-ylphenyl)decan-3-ol

1-amino-2-(4-propan-2-ylphenyl)decan-3-ol (PubChem CID 65189275) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-amino-2-(4-propan-2-ylphenyl)decan-3-ol.

Molecular Properties

Compound Name1-amino-2-(4-propan-2-ylphenyl)decan-3-ol
PubChem CID65189275
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-amino-2-(4-propan-2-ylphenyl)decan-3-ol
SMILESCCCCCCCC(O)C(CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H33NO/c1-4-5-6-7-8-9-19(21)18(14-20)17-12-10-16(11-13-17)15(2)3/h10-13,15,18-19,21H,4-9,14,20H2,1-3H3
InChIKeyMUPQMIPTCDPCEF-UHFFFAOYSA-N
XLogP4.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
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3-hexadecyl-2-phenylnonadecan-1-amine
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1-methyl-4-propan-2-ylbenzene;octan-3-ol
CID 161348623
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-propan-2-ylphenyl)decan-3-ol?
The IUPAC name of 1-amino-2-(4-propan-2-ylphenyl)decan-3-ol (CID 65189275) is 1-amino-2-(4-propan-2-ylphenyl)decan-3-ol.
What is the SMILES notation for 1-amino-2-(4-propan-2-ylphenyl)decan-3-ol?
The canonical SMILES for 1-amino-2-(4-propan-2-ylphenyl)decan-3-ol is CCCCCCCC(O)C(CN)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-amino-2-(4-propan-2-ylphenyl)decan-3-ol?
The InChIKey is MUPQMIPTCDPCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-5-6-7-8-9-19(21)18(14-20)17-12-10-16(11-13-17)15(2)3/h10-13,15,18-19,21H,4-9,14,20H2,1-3H3.
What are the key properties of 1-amino-2-(4-propan-2-ylphenyl)decan-3-ol?
1-amino-2-(4-propan-2-ylphenyl)decan-3-ol has a molecular weight of 291.48 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-propan-2-ylphenyl)decan-3-ol is sourced from PubChem (CID 65189275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).