[4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride

C20H28ClNO — CID 70599187

IUPAC[4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride
SMILESCC(C)[NH+](C)CCCC(O)c1ccccc1-c1ccccc1.[Cl-]
InChIInChI=1S/C20H27NO.ClH/c1-16(2)21(3)15-9-14-20(22)19-13-8-7-12-18(19)17-10-5-4-6-11-17;/h4-8,10-13,16,20,22H,9,14-15H2,1-3H3;1H
InChIKeyDQUHCCAEFWTUIR-UHFFFAOYSA-N
MW333.90 g/mol
LogP0.09
Rot. Bonds7

About [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride

[4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride (PubChem CID 70599187) has the molecular formula C20H28ClNO and a molecular weight of 333.90 g/mol. Its IUPAC name is [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride.

Molecular Properties

Compound Name[4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride
PubChem CID70599187
Molecular FormulaC20H28ClNO
Molecular Weight333.90 g/mol
Exact Mass333.19
IUPAC Name[4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride
SMILESCC(C)[NH+](C)CCCC(O)c1ccccc1-c1ccccc1.[Cl-]
InChIInChI=1S/C20H27NO.ClH/c1-16(2)21(3)15-9-14-20(22)19-13-8-7-12-18(19)17-10-5-4-6-11-17;/h4-8,10-13,16,20,22H,9,14-15H2,1-3H3;1H
InChIKeyDQUHCCAEFWTUIR-UHFFFAOYSA-N
XLogP0.09
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride with MolForge

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

Launch Full Analysis

Related Compounds

4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride
CID 12944238
2-methoxy-1-(2-phenylphenyl)ethanol
CID 146163535
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
boric acid;1-(2-phenylphenyl)ethanamine
CID 175210638
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
2-(2-phenylphenyl)pentanoic acid
CID 67565626
N-[2,3-dihydroxy-3-(2-phenylphenyl)propyl]acetamide
CID 170830860
4-[2-(1-hydroxyethyl)phenyl]benzoic acid
CID 152687080
carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol
CID 118510478
isocyanic acid;1-phenyl-2-propan-2-ylbenzene
CID 174621079
1-(dichloromethyl)-2-phenylbenzene;methane
CID 175246566
2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
CID 6955056

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride?
The IUPAC name of [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride (CID 70599187) is [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride.
What is the SMILES notation for [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride?
The canonical SMILES for [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride is CC(C)[NH+](C)CCCC(O)c1ccccc1-c1ccccc1.[Cl-].
What is the InChIKey of [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride?
The InChIKey is DQUHCCAEFWTUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO.ClH/c1-16(2)21(3)15-9-14-20(22)19-13-8-7-12-18(19)17-10-5-4-6-11-17;/h4-8,10-13,16,20,22H,9,14-15H2,1-3H3;1H.
What are the key properties of [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride?
[4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride has a molecular weight of 333.90 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(2-phenylphenyl)butyl]-methyl-propan-2-ylazanium chloride is sourced from PubChem (CID 70599187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).