N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine

C17H22N2OS — CID 79235672

IUPACN-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCNC1(c2nc(C)cs2)CCCc2ccc(OC)cc21
InChIInChI=1S/C17H22N2OS/c1-4-18-17(16-19-12(2)11-21-16)9-5-6-13-7-8-14(20-3)10-15(13)17/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyJJTXYXQHRDLAJW-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.65
Rot. Bonds4

About N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine

N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79235672) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79235672
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCNC1(c2nc(C)cs2)CCCc2ccc(OC)cc21
InChIInChI=1S/C17H22N2OS/c1-4-18-17(16-19-12(2)11-21-16)9-5-6-13-7-8-14(20-3)10-15(13)17/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyJJTXYXQHRDLAJW-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine with MolForge

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Related Compounds

N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
CID 79371774
7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 115510891
N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine
CID 114819099
N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 61335833
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole
CID 170068372
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766
1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 107359302
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine (CID 79235672) is N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine is CCNC1(c2nc(C)cs2)CCCc2ccc(OC)cc21.
What is the InChIKey of N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is JJTXYXQHRDLAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-18-17(16-19-12(2)11-21-16)9-5-6-13-7-8-14(20-3)10-15(13)17/h7-8,10-11,18H,4-6,9H2,1-3H3.
What are the key properties of N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine?
N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 302.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79235672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).