N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine

C17H27NO — CID 62529959

IUPACN-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine
SMILESCOc1ccc(C)cc1CC(CNC1CC1)C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15(11-18-16-6-7-16)10-14-9-13(3)5-8-17(14)19-4/h5,8-9,12,15-16,18H,6-7,10-11H2,1-4H3
InChIKeyNTFFROOKKIDLPN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.57
Rot. Bonds7

About N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine

N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine (PubChem CID 62529959) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine
PubChem CID62529959
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine
SMILESCOc1ccc(C)cc1CC(CNC1CC1)C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15(11-18-16-6-7-16)10-14-9-13(3)5-8-17(14)19-4/h5,8-9,12,15-16,18H,6-7,10-11H2,1-4H3
InChIKeyNTFFROOKKIDLPN-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62451021
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 112518315
2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
CID 63470462
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine (CID 62529959) is N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine is COc1ccc(C)cc1CC(CNC1CC1)C(C)C.
What is the InChIKey of N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine?
The InChIKey is NTFFROOKKIDLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)15(11-18-16-6-7-16)10-14-9-13(3)5-8-17(14)19-4/h5,8-9,12,15-16,18H,6-7,10-11H2,1-4H3.
What are the key properties of N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine?
N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.57, 7 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)methyl]-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62529959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).