N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide

C19H24BrNO2 — CID 75531349

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
SMILESBr.COc1ccc(CNC2CCCc3ccccc32)c(OC)c1
InChIInChI=1S/C19H23NO2.BrH/c1-21-16-11-10-15(19(12-16)22-2)13-20-18-9-5-7-14-6-3-4-8-17(14)18;/h3-4,6,8,10-12,18,20H,5,7,9,13H2,1-2H3;1H
InChIKeyIBPGWXLMYGIERI-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.45
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide

N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide (PubChem CID 75531349) has the molecular formula C19H24BrNO2 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
PubChem CID75531349
Molecular FormulaC19H24BrNO2
Molecular Weight378.31 g/mol
Exact Mass377.10
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
SMILESBr.COc1ccc(CNC2CCCc3ccccc32)c(OC)c1
InChIInChI=1S/C19H23NO2.BrH/c1-21-16-11-10-15(19(12-16)22-2)13-20-18-9-5-7-14-6-3-4-8-17(14)18;/h3-4,6,8,10-12,18,20H,5,7,9,13H2,1-2H3;1H
InChIKeyIBPGWXLMYGIERI-UHFFFAOYSA-N
XLogP4.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3,4-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3126346
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231019
N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378994
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid
CID 163327820
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106862360
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62123469

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide (CID 75531349) is N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide is Br.COc1ccc(CNC2CCCc3ccccc32)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide?
The InChIKey is IBPGWXLMYGIERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.BrH/c1-21-16-11-10-15(19(12-16)22-2)13-20-18-9-5-7-14-6-3-4-8-17(14)18;/h3-4,6,8,10-12,18,20H,5,7,9,13H2,1-2H3;1H.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide?
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide has a molecular weight of 378.31 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide is sourced from PubChem (CID 75531349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).