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

C18H28N2O — CID 120905588

IUPAC6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2N(C)CC1(C)CCNC1
InChIInChI=1S/C18H28N2O/c1-18(9-10-19-12-18)13-20(2)17-6-4-5-14-11-15(21-3)7-8-16(14)17/h7-8,11,17,19H,4-6,9-10,12-13H2,1-3H3
InChIKeyJRMXENBKVYKHII-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.00
Rot. Bonds4

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

6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 120905588) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID120905588
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2N(C)CC1(C)CCNC1
InChIInChI=1S/C18H28N2O/c1-18(9-10-19-12-18)13-20(2)17-6-4-5-14-11-15(21-3)7-8-16(14)17/h7-8,11,17,19H,4-6,9-10,12-13H2,1-3H3
InChIKeyJRMXENBKVYKHII-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one
CID 120904514
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride
CID 120904513
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898706
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-enylamino]acetic acid
CID 79286200
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 92849621
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-ynylamino]acetic acid
CID 79287526
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 120905588) is 6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2N(C)CC1(C)CCNC1.
What is the InChIKey of 6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JRMXENBKVYKHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(9-10-19-12-18)13-20(2)17-6-4-5-14-11-15(21-3)7-8-16(14)17/h7-8,11,17,19H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 120905588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).