[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate

C19H23ClN2O2 — CID 11604535

IUPAC[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OC(CCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14-6-4-5-7-17(14)21-19(23)24-18(12-13-22(2)3)15-8-10-16(20)11-9-15/h4-11,18H,12-13H2,1-3H3,(H,21,23)
InChIKeyQGAVDJOAEACFHM-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.89
Rot. Bonds6

About [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate (PubChem CID 11604535) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate
PubChem CID11604535
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OC(CCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14-6-4-5-7-17(14)21-19(23)24-18(12-13-22(2)3)15-8-10-16(20)11-9-15/h4-11,18H,12-13H2,1-3H3,(H,21,23)
InChIKeyQGAVDJOAEACFHM-UHFFFAOYSA-N
XLogP4.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(benzyloxy)piperidino]butyl-N-(4-chlorophenyl)carbamate
CID 10223679
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 11526048
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate
CID 11531958
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate
CID 11653844
[3-[4-(2-Methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281007
[3-[4-(3-Chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281064
[3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281893
(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate
CID 67239516
1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67240143
4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one
CID 197912
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate
CID 11627432
4-[4-(benzhydryloxy)piperidino]butyl-N-(4-chlorophenyl)carbamate
CID 10117403

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate?
The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate (CID 11604535) is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate is Cc1ccccc1NC(=O)OC(CCN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate?
The InChIKey is QGAVDJOAEACFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14-6-4-5-7-17(14)21-19(23)24-18(12-13-22(2)3)15-8-10-16(20)11-9-15/h4-11,18H,12-13H2,1-3H3,(H,21,23).
What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate?
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate has a molecular weight of 346.86 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(2-methylphenyl)carbamate is sourced from PubChem (CID 11604535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).