3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine

C18H25N5O — CID 143906361

IUPAC3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine
SMILESCOc1cc2ccccc2cc1C(CCN(C)C)N1NN=C(C)N1
InChIInChI=1S/C18H25N5O/c1-13-19-21-23(20-13)17(9-10-22(2)3)16-11-14-7-5-6-8-15(14)12-18(16)24-4/h5-8,11-12,17,21H,9-10H2,1-4H3,(H,19,20)
InChIKeyBAGIPRVTAOEASL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.50
Rot. Bonds6

About 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine

3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine (PubChem CID 143906361) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine
PubChem CID143906361
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine
SMILESCOc1cc2ccccc2cc1C(CCN(C)C)N1NN=C(C)N1
InChIInChI=1S/C18H25N5O/c1-13-19-21-23(20-13)17(9-10-22(2)3)16-11-14-7-5-6-8-15(14)12-18(16)24-4/h5-8,11-12,17,21H,9-10H2,1-4H3,(H,19,20)
InChIKeyBAGIPRVTAOEASL-UHFFFAOYSA-N
XLogP2.50
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine with MolForge

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Related Compounds

N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide
CID 143906258
3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
CID 44541078
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
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1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157056298
CID 90433687
CID 90433687
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589
3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 72949692
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
(1R,2S)-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-4-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)butan-2-ol
CID 166606465
3-(6-methoxyquinolin-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 76540190

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine (CID 143906361) is 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine is COc1cc2ccccc2cc1C(CCN(C)C)N1NN=C(C)N1.
What is the InChIKey of 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine?
The InChIKey is BAGIPRVTAOEASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-19-21-23(20-13)17(9-10-22(2)3)16-11-14-7-5-6-8-15(14)12-18(16)24-4/h5-8,11-12,17,21H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine?
3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine has a molecular weight of 327.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 143906361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).