(7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate

C15H18ClNO2 — CID 175597771

IUPAC(7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1=CCCc2ccc(Cl)cc21
InChIInChI=1S/C15H18ClNO2/c1-3-17(4-2)15(18)19-14-7-5-6-11-8-9-12(16)10-13(11)14/h7-10H,3-6H2,1-2H3
InChIKeyVTVRVBKBWGZDCR-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.11
Rot. Bonds3

About (7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate

(7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate (PubChem CID 175597771) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is (7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate
PubChem CID175597771
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name(7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1=CCCc2ccc(Cl)cc21
InChIInChI=1S/C15H18ClNO2/c1-3-17(4-2)15(18)19-14-7-5-6-11-8-9-12(16)10-13(11)14/h7-10H,3-6H2,1-2H3
InChIKeyVTVRVBKBWGZDCR-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)-2,2-difluoroethenyl] N,N-diethylcarbamate
CID 85776867
(7-fluoro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate
CID 129861162
[(1S)-1-(4-chlorophenyl)ethyl] N,N-di(propan-2-yl)carbamate
CID 46909844
3,4-Dihydronaphthalen-1-yl diethylcarbamate
CID 129861218
1,3-[3H]-Oxazine-2,6-dione, 3-methyl-6-(4-chlorophenyl)-
CID 587443
(4-Chlorophenyl)methyl diethylcarbamate
CID 13392255
1-Tert-butoxycarbonyl-4-(4-chlorophenyl)-4-methoxypiperidine
CID 21997578
(2-chlorophenyl)methyl N,N-diethylcarbamate
CID 69920258
3-Tert-butyl-5-(3-chlorophenyl)-4-methyl-1,3-oxazol-2-one
CID 89972835
(3-Chlorophenyl)methyl 4-ethylpiperazine-1-carboxylate
CID 90699718
(4-Chlorophenyl)methyl 4-ethylpiperazine-1-carboxylate
CID 91098504
Butyl 4-(4-chlorophenyl)-4-methoxypiperidine-1-carboxylate
CID 117703131

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate?
The IUPAC name of (7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate (CID 175597771) is (7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate.
What is the SMILES notation for (7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate?
The canonical SMILES for (7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate is CCN(CC)C(=O)OC1=CCCc2ccc(Cl)cc21.
What is the InChIKey of (7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate?
The InChIKey is VTVRVBKBWGZDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-17(4-2)15(18)19-14-7-5-6-11-8-9-12(16)10-13(11)14/h7-10H,3-6H2,1-2H3.
What are the key properties of (7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate?
(7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate has a molecular weight of 279.77 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate is sourced from PubChem (CID 175597771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).