1-amino-5-methyl-1,6-diphenylhexan-3-ol

C19H25NO — CID 141077870

IUPAC1-amino-5-methyl-1,6-diphenylhexan-3-ol
SMILESCC(Cc1ccccc1)CC(O)CC(N)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(12-16-8-4-2-5-9-16)13-18(21)14-19(20)17-10-6-3-7-11-17/h2-11,15,18-19,21H,12-14,20H2,1H3
InChIKeyVXPYCDQUJUQUKS-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.71
Rot. Bonds7

About 1-amino-5-methyl-1,6-diphenylhexan-3-ol

1-amino-5-methyl-1,6-diphenylhexan-3-ol (PubChem CID 141077870) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-amino-5-methyl-1,6-diphenylhexan-3-ol.

Molecular Properties

Compound Name1-amino-5-methyl-1,6-diphenylhexan-3-ol
PubChem CID141077870
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-amino-5-methyl-1,6-diphenylhexan-3-ol
SMILESCC(Cc1ccccc1)CC(O)CC(N)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(12-16-8-4-2-5-9-16)13-18(21)14-19(20)17-10-6-3-7-11-17/h2-11,15,18-19,21H,12-14,20H2,1H3
InChIKeyVXPYCDQUJUQUKS-UHFFFAOYSA-N
XLogP3.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate
CID 18410258
(1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol
CID 50998989
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
2-methyl-3-phenylpropan-1-amine
CID 12672558
4-methyl-2,5-diphenylpentanoic acid
CID 82160563
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
CID 15830826
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene
CID 11001118
(2R)-5-amino-5-phenylpentan-2-ol
CID 68757474
(1R)-1,2-diphenylethanol
CID 1379022
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methyl-1,6-diphenylhexan-3-ol?
The IUPAC name of 1-amino-5-methyl-1,6-diphenylhexan-3-ol (CID 141077870) is 1-amino-5-methyl-1,6-diphenylhexan-3-ol.
What is the SMILES notation for 1-amino-5-methyl-1,6-diphenylhexan-3-ol?
The canonical SMILES for 1-amino-5-methyl-1,6-diphenylhexan-3-ol is CC(Cc1ccccc1)CC(O)CC(N)c1ccccc1.
What is the InChIKey of 1-amino-5-methyl-1,6-diphenylhexan-3-ol?
The InChIKey is VXPYCDQUJUQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(12-16-8-4-2-5-9-16)13-18(21)14-19(20)17-10-6-3-7-11-17/h2-11,15,18-19,21H,12-14,20H2,1H3.
What are the key properties of 1-amino-5-methyl-1,6-diphenylhexan-3-ol?
1-amino-5-methyl-1,6-diphenylhexan-3-ol has a molecular weight of 283.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methyl-1,6-diphenylhexan-3-ol is sourced from PubChem (CID 141077870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).