(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride

C21H30ClNO — CID 3041255

IUPAC(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride
SMILESCC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20,23H,5,16H2,1-4H3;1H/t17-,20-;/m0./s1
InChIKeyGMNBUMFCZAZBQG-ZHXLSBKVSA-N
MW347.93 g/mol
LogP4.51
Rot. Bonds7

About (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride

(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride (PubChem CID 3041255) has the molecular formula C21H30ClNO and a molecular weight of 347.93 g/mol. Its IUPAC name is (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride
PubChem CID3041255
Molecular FormulaC21H30ClNO
Molecular Weight347.93 g/mol
Exact Mass347.20
IUPAC Name(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride
SMILESCC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20,23H,5,16H2,1-4H3;1H/t17-,20-;/m0./s1
InChIKeyGMNBUMFCZAZBQG-ZHXLSBKVSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride?
The IUPAC name of (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride (CID 3041255) is (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride.
What is the SMILES notation for (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride?
The canonical SMILES for (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride is CC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride?
The InChIKey is GMNBUMFCZAZBQG-ZHXLSBKVSA-N. The full InChI is InChI=1S/C21H29NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20,23H,5,16H2,1-4H3;1H/t17-,20-;/m0./s1.
What are the key properties of (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride?
(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride is sourced from PubChem (CID 3041255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).