2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine

C15H23BrN2 — CID 55247303

IUPAC2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCCN(C)C1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H23BrN2/c1-3-8-18(2)15(11-17)7-6-12-9-14(16)5-4-13(12)10-15/h4-5,9H,3,6-8,10-11,17H2,1-2H3
InChIKeyXDZNKDPXNIVMRR-UHFFFAOYSA-N
MW311.27 g/mol
LogP2.98
Rot. Bonds4

About 2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 55247303) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID55247303
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCCN(C)C1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H23BrN2/c1-3-8-18(2)15(11-17)7-6-12-9-14(16)5-4-13(12)10-15/h4-5,9H,3,6-8,10-11,17H2,1-2H3
InChIKeyXDZNKDPXNIVMRR-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-Bromo-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
CID 17932068
5-bromo-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 44209559
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
CID 137943731
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626726
6-bromo-2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632229
2-(aminomethyl)-6-bromo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 65376562
6-bromo-N-(4,4,4-trifluorobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81343291
6-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 104860305
2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 113303703
6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115516771
1-(6-Bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 15137237
1-(6-Bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 15137254

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine (CID 55247303) is 2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine is CCCN(C)C1(CN)CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is XDZNKDPXNIVMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-8-18(2)15(11-17)7-6-12-9-14(16)5-4-13(12)10-15/h4-5,9H,3,6-8,10-11,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 311.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 55247303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).