(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide

C20H28BrNO — CID 70098322

IUPAC(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
SMILESBr.CC(C)C[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NO.BrH/c1-17(2)13-20(16-22)21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19;/h3-12,17,20,22H,13-16H2,1-2H3;1H/t20-;/m0./s1
InChIKeyRWVIFCATNFSWIU-BDQAORGHSA-N
MW378.35 g/mol
LogP4.67
Rot. Bonds8

About (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide

(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide (PubChem CID 70098322) has the molecular formula C20H28BrNO and a molecular weight of 378.35 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
PubChem CID70098322
Molecular FormulaC20H28BrNO
Molecular Weight378.35 g/mol
Exact Mass377.14
IUPAC Name(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
SMILESBr.CC(C)C[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NO.BrH/c1-17(2)13-20(16-22)21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19;/h3-12,17,20,22H,13-16H2,1-2H3;1H/t20-;/m0./s1
InChIKeyRWVIFCATNFSWIU-BDQAORGHSA-N
XLogP4.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide 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

(2S)-2-amino-4-methylpentan-1-ol;bromomethylbenzene;(2R)-2-(dibenzylamino)-4-methylpentan-1-ol
CID 159200419
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
3-butoxy-2-(dibenzylamino)propan-1-ol
CID 163833677
(2S)-2-(dibenzylamino)-4-pyrrol-1-ylbutan-1-ol
CID 14610936
(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
CID 66639453
N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 22711666
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide?
The IUPAC name of (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide (CID 70098322) is (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide.
What is the SMILES notation for (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide?
The canonical SMILES for (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide is Br.CC(C)C[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide?
The InChIKey is RWVIFCATNFSWIU-BDQAORGHSA-N. The full InChI is InChI=1S/C20H27NO.BrH/c1-17(2)13-20(16-22)21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19;/h3-12,17,20,22H,13-16H2,1-2H3;1H/t20-;/m0./s1.
What are the key properties of (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide?
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide has a molecular weight of 378.35 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide is sourced from PubChem (CID 70098322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).