N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine

C18H29NO — CID 79679445

IUPACN-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
SMILESCOc1ccc(C)cc1C1(CNC(C)C)CCCC1C
InChIInChI=1S/C18H29NO/c1-13(2)19-12-18(10-6-7-15(18)4)16-11-14(3)8-9-17(16)20-5/h8-9,11,13,15,19H,6-7,10,12H2,1-5H3
InChIKeyLCXVLYXSAPYORK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.06
Rot. Bonds5

About N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine

N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine (PubChem CID 79679445) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
PubChem CID79679445
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
SMILESCOc1ccc(C)cc1C1(CNC(C)C)CCCC1C
InChIInChI=1S/C18H29NO/c1-13(2)19-12-18(10-6-7-15(18)4)16-11-14(3)8-9-17(16)20-5/h8-9,11,13,15,19H,6-7,10,12H2,1-5H3
InChIKeyLCXVLYXSAPYORK-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine
CID 66432596
N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679265
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79682025
N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 62704055
N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 66423351
1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
CID 79679423
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903195
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62594787
1-[1-(2-methoxy-5-methylphenyl)cyclopropyl]ethanol
CID 83687634

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine (CID 79679445) is N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine is COc1ccc(C)cc1C1(CNC(C)C)CCCC1C.
What is the InChIKey of N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine?
The InChIKey is LCXVLYXSAPYORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)19-12-18(10-6-7-15(18)4)16-11-14(3)8-9-17(16)20-5/h8-9,11,13,15,19H,6-7,10,12H2,1-5H3.
What are the key properties of N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine?
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 79679445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).