N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine

C15H23NO — CID 66244884

IUPACN-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1cccc(C(CNC2CC2)C(C)C)c1
InChIInChI=1S/C15H23NO/c1-11(2)15(10-16-13-7-8-13)12-5-4-6-14(9-12)17-3/h4-6,9,11,13,15-16H,7-8,10H2,1-3H3
InChIKeyJEMNEUYTDFCNHV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine

N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine (PubChem CID 66244884) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
PubChem CID66244884
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1cccc(C(CNC2CC2)C(C)C)c1
InChIInChI=1S/C15H23NO/c1-11(2)15(10-16-13-7-8-13)12-5-4-6-14(9-12)17-3/h4-6,9,11,13,15-16H,7-8,10H2,1-3H3
InChIKeyJEMNEUYTDFCNHV-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
CID 82937261
N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
CID 62111220
N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177820
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine
CID 43394909
N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66242807
1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene
CID 174421855
2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373008
N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686740
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62107947
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine (CID 66244884) is N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine is COc1cccc(C(CNC2CC2)C(C)C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The InChIKey is JEMNEUYTDFCNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)15(10-16-13-7-8-13)12-5-4-6-14(9-12)17-3/h4-6,9,11,13,15-16H,7-8,10H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine has a molecular weight of 233.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 66244884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).