[2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone

C19H22ClNO2 — CID 134158064

IUPAC[2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone
SMILESCC(C)C[C@H](N)COc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-13(2)10-16(21)12-23-18-9-8-15(20)11-17(18)19(22)14-6-4-3-5-7-14/h3-9,11,13,16H,10,12,21H2,1-2H3/t16-/m0/s1
InChIKeyRFYRKARMSGCOOM-INIZCTEOSA-N
MW331.84 g/mol
LogP4.32
Rot. Bonds7

About [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone

[2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone (PubChem CID 134158064) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone
PubChem CID134158064
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name[2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone
SMILESCC(C)C[C@H](N)COc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-13(2)10-16(21)12-23-18-9-8-15(20)11-17(18)19(22)14-6-4-3-5-7-14/h3-9,11,13,16H,10,12,21H2,1-2H3/t16-/m0/s1
InChIKeyRFYRKARMSGCOOM-INIZCTEOSA-N
XLogP4.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone 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 [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone?
The IUPAC name of [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone (CID 134158064) is [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone.
What is the SMILES notation for [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone?
The canonical SMILES for [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone is CC(C)C[C@H](N)COc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone?
The InChIKey is RFYRKARMSGCOOM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13(2)10-16(21)12-23-18-9-8-15(20)11-17(18)19(22)14-6-4-3-5-7-14/h3-9,11,13,16H,10,12,21H2,1-2H3/t16-/m0/s1.
What are the key properties of [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone?
[2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone has a molecular weight of 331.84 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-amino-4-methylpentoxy]-5-chlorophenyl]-phenylmethanone is sourced from PubChem (CID 134158064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).