(3S,6R)-6-amino-4,4-diphenylheptan-3-ol

C19H25NO — CID 178170150

IUPAC(3S,6R)-6-amino-4,4-diphenylheptan-3-ol
SMILESCC[C@H](O)C(C[C@@H](C)N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-18(21)19(14-15(2)20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,21H,3,14,20H2,1-2H3/t15-,18+/m1/s1
InChIKeyIZZIQFNJHDNHIZ-QAPCUYQASA-N
MW283.42 g/mol
LogP3.48
Rot. Bonds6

About (3S,6R)-6-amino-4,4-diphenylheptan-3-ol

(3S,6R)-6-amino-4,4-diphenylheptan-3-ol (PubChem CID 178170150) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (3S,6R)-6-amino-4,4-diphenylheptan-3-ol.

Molecular Properties

Compound Name(3S,6R)-6-amino-4,4-diphenylheptan-3-ol
PubChem CID178170150
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(3S,6R)-6-amino-4,4-diphenylheptan-3-ol
SMILESCC[C@H](O)C(C[C@@H](C)N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-18(21)19(14-15(2)20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,21H,3,14,20H2,1-2H3/t15-,18+/m1/s1
InChIKeyIZZIQFNJHDNHIZ-QAPCUYQASA-N
XLogP3.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-amino-4,4-diphenylheptan-3-ol?
The IUPAC name of (3S,6R)-6-amino-4,4-diphenylheptan-3-ol (CID 178170150) is (3S,6R)-6-amino-4,4-diphenylheptan-3-ol.
What is the SMILES notation for (3S,6R)-6-amino-4,4-diphenylheptan-3-ol?
The canonical SMILES for (3S,6R)-6-amino-4,4-diphenylheptan-3-ol is CC[C@H](O)C(C[C@@H](C)N)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,6R)-6-amino-4,4-diphenylheptan-3-ol?
The InChIKey is IZZIQFNJHDNHIZ-QAPCUYQASA-N. The full InChI is InChI=1S/C19H25NO/c1-3-18(21)19(14-15(2)20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,21H,3,14,20H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of (3S,6R)-6-amino-4,4-diphenylheptan-3-ol?
(3S,6R)-6-amino-4,4-diphenylheptan-3-ol has a molecular weight of 283.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-amino-4,4-diphenylheptan-3-ol is sourced from PubChem (CID 178170150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).