6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NO2 — CID 115417576

IUPAC6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1cc2c(cc1OCC)C(NC)CCC2C
InChIInChI=1S/C16H25NO2/c1-5-18-15-9-12-11(3)7-8-14(17-4)13(12)10-16(15)19-6-2/h9-11,14,17H,5-8H2,1-4H3
InChIKeyYACFCVVKHHKQLM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.64
Rot. Bonds5

About 6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417576) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417576
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1cc2c(cc1OCC)C(NC)CCC2C
InChIInChI=1S/C16H25NO2/c1-5-18-15-9-12-11(3)7-8-14(17-4)13(12)10-16(15)19-6-2/h9-11,14,17H,5-8H2,1-4H3
InChIKeyYACFCVVKHHKQLM-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 113305848
1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene
CID 113305881
6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109039
7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417532
(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417778
5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417490
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028647
3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 55155020
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7157327
5,6,12,13,19,20-hexaethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 4918984
4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
CID 64747736

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417576) is 6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCOc1cc2c(cc1OCC)C(NC)CCC2C.
What is the InChIKey of 6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YACFCVVKHHKQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-18-15-9-12-11(3)7-8-14(17-4)13(12)10-16(15)19-6-2/h9-11,14,17H,5-8H2,1-4H3.
What are the key properties of 6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).