[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride

C21H29ClN2O2 — CID 54584410

IUPAC[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride
SMILESC[C@H](Cc1ccccc1)N(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-16(14-18-10-7-6-8-11-18)23(5)21(24)25-20-13-9-12-19(15-20)17(2)22(3)4;/h6-13,15-17H,14H2,1-5H3;1H/t16-,17+;/m1./s1
InChIKeyAWAZKCCRSSRICT-PPPUBMIESA-N
MW376.93 g/mol
LogP4.79
Rot. Bonds6

About [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride

[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride (PubChem CID 54584410) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Name[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride
PubChem CID54584410
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride
SMILESC[C@H](Cc1ccccc1)N(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-16(14-18-10-7-6-8-11-18)23(5)21(24)25-20-13-9-12-19(15-20)17(2)22(3)4;/h6-13,15-17H,14H2,1-5H3;1H/t16-,17+;/m1./s1
InChIKeyAWAZKCCRSSRICT-PPPUBMIESA-N
XLogP4.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;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 [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride?
The IUPAC name of [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride (CID 54584410) is [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride.
What is the SMILES notation for [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride?
The canonical SMILES for [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride is C[C@H](Cc1ccccc1)N(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.Cl.
What is the InChIKey of [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride?
The InChIKey is AWAZKCCRSSRICT-PPPUBMIESA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-16(14-18-10-7-6-8-11-18)23(5)21(24)25-20-13-9-12-19(15-20)17(2)22(3)4;/h6-13,15-17H,14H2,1-5H3;1H/t16-,17+;/m1./s1.
What are the key properties of [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride?
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[(2R)-1-phenylpropan-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 54584410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).