1-amino-4,6-dimethyl-2-phenylheptan-2-ol

C15H25NO — CID 114200484

IUPAC1-amino-4,6-dimethyl-2-phenylheptan-2-ol
SMILESCC(C)CC(C)CC(O)(CN)c1ccccc1
InChIInChI=1S/C15H25NO/c1-12(2)9-13(3)10-15(17,11-16)14-7-5-4-6-8-14/h4-8,12-13,17H,9-11,16H2,1-3H3
InChIKeyPKJVJUPKDUFFCF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.91
Rot. Bonds6

About 1-amino-4,6-dimethyl-2-phenylheptan-2-ol

1-amino-4,6-dimethyl-2-phenylheptan-2-ol (PubChem CID 114200484) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-amino-4,6-dimethyl-2-phenylheptan-2-ol.

Molecular Properties

Compound Name1-amino-4,6-dimethyl-2-phenylheptan-2-ol
PubChem CID114200484
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-amino-4,6-dimethyl-2-phenylheptan-2-ol
SMILESCC(C)CC(C)CC(O)(CN)c1ccccc1
InChIInChI=1S/C15H25NO/c1-12(2)9-13(3)10-15(17,11-16)14-7-5-4-6-8-14/h4-8,12-13,17H,9-11,16H2,1-3H3
InChIKeyPKJVJUPKDUFFCF-UHFFFAOYSA-N
XLogP2.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol
CID 116696038
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol
CID 64822024
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
2-(aminomethyl)-4-methyl-2-phenylpentan-1-ol
CID 106508028
1-amino-3-tert-butylsulfanyl-2-phenylpropan-2-ol
CID 64812177
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
1-amino-3-(2-methylphenyl)sulfanyl-2-phenylpropan-2-ol
CID 64813417
5-amino-4,4-diphenylpentan-2-ol
CID 24973034
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
(2R)-2,4-dimethyl-4-phenylpentan-1-amine
CID 42077880
1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol
CID 64821841

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,6-dimethyl-2-phenylheptan-2-ol?
The IUPAC name of 1-amino-4,6-dimethyl-2-phenylheptan-2-ol (CID 114200484) is 1-amino-4,6-dimethyl-2-phenylheptan-2-ol.
What is the SMILES notation for 1-amino-4,6-dimethyl-2-phenylheptan-2-ol?
The canonical SMILES for 1-amino-4,6-dimethyl-2-phenylheptan-2-ol is CC(C)CC(C)CC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-4,6-dimethyl-2-phenylheptan-2-ol?
The InChIKey is PKJVJUPKDUFFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)9-13(3)10-15(17,11-16)14-7-5-4-6-8-14/h4-8,12-13,17H,9-11,16H2,1-3H3.
What are the key properties of 1-amino-4,6-dimethyl-2-phenylheptan-2-ol?
1-amino-4,6-dimethyl-2-phenylheptan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,6-dimethyl-2-phenylheptan-2-ol is sourced from PubChem (CID 114200484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).