N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine

C17H27NO — CID 62714065

IUPACN-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C)cc1C1(C)CC1CNCC(C)C
InChIInChI=1S/C17H27NO/c1-12(2)10-18-11-14-9-17(14,4)15-8-13(3)6-7-16(15)19-5/h6-8,12,14,18H,9-11H2,1-5H3
InChIKeyCRHWIJIZMFVXCS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.53
Rot. Bonds6

About N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 62714065) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID62714065
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C)cc1C1(C)CC1CNCC(C)C
InChIInChI=1S/C17H27NO/c1-12(2)10-18-11-14-9-17(14,4)15-8-13(3)6-7-16(15)19-5/h6-8,12,14,18H,9-11H2,1-5H3
InChIKeyCRHWIJIZMFVXCS-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 62704055
N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62713891
N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008712
N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712827
2-methyl-N-[(2-methyl-2-pyridin-3-ylcyclopropyl)methyl]propan-1-amine
CID 62714424
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223569
2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63496934
N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 83107386
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79679445

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine (CID 62714065) is N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine is COc1ccc(C)cc1C1(C)CC1CNCC(C)C.
What is the InChIKey of N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CRHWIJIZMFVXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)10-18-11-14-9-17(14,4)15-8-13(3)6-7-16(15)19-5/h6-8,12,14,18H,9-11H2,1-5H3.
What are the key properties of N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.53, 6 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)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62714065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).