N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine

C19H25NOS — CID 15029799

IUPACN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine
SMILESCOc1ccc2c(c1)CCCC2CN(C)CCc1ccsc1
InChIInChI=1S/C19H25NOS/c1-20(10-8-15-9-11-22-14-15)13-17-5-3-4-16-12-18(21-2)6-7-19(16)17/h6-7,9,11-12,14,17H,3-5,8,10,13H2,1-2H3
InChIKeyAMKNAAQEICZJLC-UHFFFAOYSA-N
MW315.48 g/mol
LogP4.35
Rot. Bonds6

About N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine

N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine (PubChem CID 15029799) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine
PubChem CID15029799
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC NameN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine
SMILESCOc1ccc2c(c1)CCCC2CN(C)CCc1ccsc1
InChIInChI=1S/C19H25NOS/c1-20(10-8-15-9-11-22-14-15)13-17-5-3-4-16-12-18(21-2)6-7-19(16)17/h6-7,9,11-12,14,17H,3-5,8,10,13H2,1-2H3
InChIKeyAMKNAAQEICZJLC-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol
CID 15029870
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride
CID 67867574
5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 19882664
1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
CID 170189620
1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea
CID 126423557
5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15029809
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)propan-1-amine;hydrochloride
CID 23126384
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
N-methyl-N-(piperidin-4-ylmethyl)-2-thiophen-3-ylethanamine
CID 79716858
2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid
CID 19098496

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine (CID 15029799) is N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine is COc1ccc2c(c1)CCCC2CN(C)CCc1ccsc1.
What is the InChIKey of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine?
The InChIKey is AMKNAAQEICZJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS/c1-20(10-8-15-9-11-22-14-15)13-17-5-3-4-16-12-18(21-2)6-7-19(16)17/h6-7,9,11-12,14,17H,3-5,8,10,13H2,1-2H3.
What are the key properties of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine?
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine has a molecular weight of 315.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 15029799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).