N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C14H18BrNO — CID 113261175

IUPACN-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=C(Br)CNC1CCCc2ccc(OC)cc21
InChIInChI=1S/C14H18BrNO/c1-10(15)9-16-14-5-3-4-11-6-7-12(17-2)8-13(11)14/h6-8,14,16H,1,3-5,9H2,2H3
InChIKeyXQBAQDHJNNUJQD-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.57
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113261175) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113261175
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=C(Br)CNC1CCCc2ccc(OC)cc21
InChIInChI=1S/C14H18BrNO/c1-10(15)9-16-14-5-3-4-11-6-7-12(17-2)8-13(11)14/h6-8,14,16H,1,3-5,9H2,2H3
InChIKeyXQBAQDHJNNUJQD-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
7-methoxy-N-[(1-methylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103903212
N-[(4-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248439
7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012
N-[2-[2-(dimethylamino)ethoxy]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107094075
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231019
7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107269889
N-(furan-3-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115674094
N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106042610
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113261175) is N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is C=C(Br)CNC1CCCc2ccc(OC)cc21.
What is the InChIKey of N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XQBAQDHJNNUJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10(15)9-16-14-5-3-4-11-6-7-12(17-2)8-13(11)14/h6-8,14,16H,1,3-5,9H2,2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 296.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113261175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).