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

C17H27NO — CID 66432596

IUPACN-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine
SMILESCOc1ccc(C)cc1C1(CNC(C)C)CCC1C
InChIInChI=1S/C17H27NO/c1-12(2)18-11-17(9-8-14(17)4)15-10-13(3)6-7-16(15)19-5/h6-7,10,12,14,18H,8-9,11H2,1-5H3
InChIKeySSSYQKLXVPAGGE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.67
Rot. Bonds5

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

N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine (PubChem CID 66432596) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine
PubChem CID66432596
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine
SMILESCOc1ccc(C)cc1C1(CNC(C)C)CCC1C
InChIInChI=1S/C17H27NO/c1-12(2)18-11-17(9-8-14(17)4)15-10-13(3)6-7-16(15)19-5/h6-7,10,12,14,18H,8-9,11H2,1-5H3
InChIKeySSSYQKLXVPAGGE-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79679445
N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 66423351
N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 62704055
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
CID 66431979
1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
CID 79679423
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
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine (CID 66432596) is N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine is COc1ccc(C)cc1C1(CNC(C)C)CCC1C.
What is the InChIKey of N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine?
The InChIKey is SSSYQKLXVPAGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)18-11-17(9-8-14(17)4)15-10-13(3)6-7-16(15)19-5/h6-7,10,12,14,18H,8-9,11H2,1-5H3.
What are the key properties of N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine?
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.67, 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-methylcyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 66432596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).