7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H24BrN — CID 113305812

IUPAC7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCC(C)c2c(C)cc(Br)c(C)c21
InChIInChI=1S/C16H24BrN/c1-5-8-18-14-7-6-10(2)15-11(3)9-13(17)12(4)16(14)15/h9-10,14,18H,5-8H2,1-4H3
InChIKeyFTNLLBFZENDZFO-UHFFFAOYSA-N
MW310.28 g/mol
LogP5.00
Rot. Bonds3

About 7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113305812) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113305812
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCC(C)c2c(C)cc(Br)c(C)c21
InChIInChI=1S/C16H24BrN/c1-5-8-18-14-7-6-10(2)15-11(3)9-13(17)12(4)16(14)15/h9-10,14,18H,5-8H2,1-4H3
InChIKeyFTNLLBFZENDZFO-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417705
7-bromo-N,4,5,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417695
7-bromo-8-methyl-N-propyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417484
N-ethyl-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417478
5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417654
1,3-difluoro-4-methyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79732480
3,10-dimethyl-N-propyl-3,4,7,8,9,10-hexahydro-2H-benzo[h][1,5]benzodioxepin-7-amine
CID 115417710
1-bromo-3,4-dimethoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62736545
7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305796
7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417608
6-bromo-N-ethyl-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417591
8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737652

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113305812) is 7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCC(C)c2c(C)cc(Br)c(C)c21.
What is the InChIKey of 7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FTNLLBFZENDZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-5-8-18-14-7-6-10(2)15-11(3)9-13(17)12(4)16(14)15/h9-10,14,18H,5-8H2,1-4H3.
What are the key properties of 7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 310.28 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113305812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).