1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol

C20H33NO — CID 123408572

IUPAC1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol
SMILESCCCCC(CCC)CC1(C)CC(O)C(N)c2ccccc21
InChIInChI=1S/C20H33NO/c1-4-6-10-15(9-5-2)13-20(3)14-18(22)19(21)16-11-7-8-12-17(16)20/h7-8,11-12,15,18-19,22H,4-6,9-10,13-14,21H2,1-3H3
InChIKeyHUHXNQPFRQLIDD-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.71
Rot. Bonds7

About 1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol

1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol (PubChem CID 123408572) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol
PubChem CID123408572
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol
SMILESCCCCC(CCC)CC1(C)CC(O)C(N)c2ccccc21
InChIInChI=1S/C20H33NO/c1-4-6-10-15(9-5-2)13-20(3)14-18(22)19(21)16-11-7-8-12-17(16)20/h7-8,11-12,15,18-19,22H,4-6,9-10,13-14,21H2,1-3H3
InChIKeyHUHXNQPFRQLIDD-UHFFFAOYSA-N
XLogP4.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol (CID 123408572) is 1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol is CCCCC(CCC)CC1(C)CC(O)C(N)c2ccccc21.
What is the InChIKey of 1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol?
The InChIKey is HUHXNQPFRQLIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-6-10-15(9-5-2)13-20(3)14-18(22)19(21)16-11-7-8-12-17(16)20/h7-8,11-12,15,18-19,22H,4-6,9-10,13-14,21H2,1-3H3.
What are the key properties of 1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol?
1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol has a molecular weight of 303.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 123408572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).