[1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine

C17H25NO — CID 117402949

IUPAC[1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine
SMILESCOc1c(C)c2c(c(C)c1C1(CN)CC1)CCCC2
InChIInChI=1S/C17H25NO/c1-11-13-6-4-5-7-14(13)12(2)16(19-3)15(11)17(10-18)8-9-17/h4-10,18H2,1-3H3
InChIKeyXEBAMYDQFJKRJC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.18
Rot. Bonds3

About [1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine

[1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine (PubChem CID 117402949) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine
PubChem CID117402949
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine
SMILESCOc1c(C)c2c(c(C)c1C1(CN)CC1)CCCC2
InChIInChI=1S/C17H25NO/c1-11-13-6-4-5-7-14(13)12(2)16(19-3)15(11)17(10-18)8-9-17/h4-10,18H2,1-3H3
InChIKeyXEBAMYDQFJKRJC-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906
[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine
CID 117474122
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine
CID 117113313
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117423426
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine (CID 117402949) is [1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine is COc1c(C)c2c(c(C)c1C1(CN)CC1)CCCC2.
What is the InChIKey of [1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine?
The InChIKey is XEBAMYDQFJKRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-13-6-4-5-7-14(13)12(2)16(19-3)15(11)17(10-18)8-9-17/h4-10,18H2,1-3H3.
What are the key properties of [1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine?
[1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 117402949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).