methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate

C15H23ClN2O3 — CID 69175225

IUPACmethyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate
SMILESCNC(CCOCCNC(=O)OC)c1cc(Cl)ccc1C
InChIInChI=1S/C15H23ClN2O3/c1-11-4-5-12(16)10-13(11)14(17-2)6-8-21-9-7-18-15(19)20-3/h4-5,10,14,17H,6-9H2,1-3H3,(H,18,19)
InChIKeyFLSCWBYEOWUKOP-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.67
Rot. Bonds8

About methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate

methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate (PubChem CID 69175225) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate
PubChem CID69175225
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Namemethyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate
SMILESCNC(CCOCCNC(=O)OC)c1cc(Cl)ccc1C
InChIInChI=1S/C15H23ClN2O3/c1-11-4-5-12(16)10-13(11)14(17-2)6-8-21-9-7-18-15(19)20-3/h4-5,10,14,17H,6-9H2,1-3H3,(H,18,19)
InChIKeyFLSCWBYEOWUKOP-UHFFFAOYSA-N
XLogP2.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate
CID 69175520
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912
1-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500
tert-butyl N-[3-(5-chloro-2-methylphenyl)-3-[2-(methoxycarbonylamino)ethoxy]propyl]-N-methylcarbamate
CID 66704562
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate
CID 14496167
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64813241
1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044504
3-(2-methoxyethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 102928240
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049923

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate?
The IUPAC name of methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate (CID 69175225) is methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate is CNC(CCOCCNC(=O)OC)c1cc(Cl)ccc1C.
What is the InChIKey of methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate?
The InChIKey is FLSCWBYEOWUKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-11-4-5-12(16)10-13(11)14(17-2)6-8-21-9-7-18-15(19)20-3/h4-5,10,14,17H,6-9H2,1-3H3,(H,18,19).
What are the key properties of methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate?
methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate has a molecular weight of 314.81 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate is sourced from PubChem (CID 69175225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).