N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine

C18H27NO — CID 65009660

IUPACN-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine
SMILESCCNCC1(c2cc(C)ccc2OC)CC2(CCC2)C1
InChIInChI=1S/C18H27NO/c1-4-19-13-18(11-17(12-18)8-5-9-17)15-10-14(2)6-7-16(15)20-3/h6-7,10,19H,4-5,8-9,11-13H2,1-3H3
InChIKeyFRHRQSFGPSDIJV-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.82
Rot. Bonds5

About N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine

N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine (PubChem CID 65009660) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine
PubChem CID65009660
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine
SMILESCCNCC1(c2cc(C)ccc2OC)CC2(CCC2)C1
InChIInChI=1S/C18H27NO/c1-4-19-13-18(11-17(12-18)8-5-9-17)15-10-14(2)6-7-16(15)20-3/h6-7,10,19H,4-5,8-9,11-13H2,1-3H3
InChIKeyFRHRQSFGPSDIJV-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008712
2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine
CID 64997529
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
CID 65003229
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
N-[[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008448
2-[1-(2-methoxy-5-methylphenyl)cyclopentyl]ethanamine
CID 82082897
2-(2-methoxy-5-methylphenyl)spiro[3.4]octane-2-carboxylic acid
CID 65003014
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine
CID 82132905
N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 62595893

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine (CID 65009660) is N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine is CCNCC1(c2cc(C)ccc2OC)CC2(CCC2)C1.
What is the InChIKey of N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine?
The InChIKey is FRHRQSFGPSDIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-19-13-18(11-17(12-18)8-5-9-17)15-10-14(2)6-7-16(15)20-3/h6-7,10,19H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine?
N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine is sourced from PubChem (CID 65009660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).