(1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate

C16H18BrNO2 — CID 51039096

IUPAC(1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCCCc1ccc2c(Br)c(OC(=O)N(C)C)ccc2c1
InChIInChI=1S/C16H18BrNO2/c1-4-5-11-6-8-13-12(10-11)7-9-14(15(13)17)20-16(19)18(2)3/h6-10H,4-5H2,1-3H3
InChIKeyAFPQAZWPWWDPDR-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.62
Rot. Bonds3

About (1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate

(1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate (PubChem CID 51039096) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is (1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate
PubChem CID51039096
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name(1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCCCc1ccc2c(Br)c(OC(=O)N(C)C)ccc2c1
InChIInChI=1S/C16H18BrNO2/c1-4-5-11-6-8-13-12(10-11)7-9-14(15(13)17)20-16(19)18(2)3/h6-10H,4-5H2,1-3H3
InChIKeyAFPQAZWPWWDPDR-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromonaphthalen-1-yl dimethylcarbamate
CID 883394
1-Bromo-2-naphthyl diethylcarbamate
CID 735653
6-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 807327
1-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 735654
4-Bromo-1-naphthyl diethylcarbamate
CID 883462
6-Bromo-2-naphthyl diethylcarbamate
CID 1121365
1,6-dibromonaphthalen-2-yl N,N-dimethylcarbamate
CID 1186397
1-Bromo-2-naphthyl 1-azepanecarboxylate
CID 2928803
(1-Bromonaphthalen-2-yl) azetidine-1-carboxylate
CID 70691018
(1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate
CID 70695218
1-Bromonaphthalen-2-yl piperidine-1-carboxylate
CID 735652
(1-bromonaphthalen-2-yl) N-butylcarbamate
CID 70682614

Frequently Asked Questions

What is the IUPAC name of (1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate?
The IUPAC name of (1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate (CID 51039096) is (1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate is CCCc1ccc2c(Br)c(OC(=O)N(C)C)ccc2c1.
What is the InChIKey of (1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate?
The InChIKey is AFPQAZWPWWDPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-4-5-11-6-8-13-12(10-11)7-9-14(15(13)17)20-16(19)18(2)3/h6-10H,4-5H2,1-3H3.
What are the key properties of (1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate?
(1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate has a molecular weight of 336.23 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 51039096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).