N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine

C16H25NO — CID 112514545

IUPACN-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine
SMILESCOc1ccc(C(C)CCNC2CC2)c(C)c1C
InChIInChI=1S/C16H25NO/c1-11(9-10-17-14-5-6-14)15-7-8-16(18-4)13(3)12(15)2/h7-8,11,14,17H,5-6,9-10H2,1-4H3
InChIKeyBUOZZZYDZZAILI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.56
Rot. Bonds6

About N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine

N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine (PubChem CID 112514545) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine
PubChem CID112514545
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine
SMILESCOc1ccc(C(C)CCNC2CC2)c(C)c1C
InChIInChI=1S/C16H25NO/c1-11(9-10-17-14-5-6-14)15-7-8-16(18-4)13(3)12(15)2/h7-8,11,14,17H,5-6,9-10H2,1-4H3
InChIKeyBUOZZZYDZZAILI-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116935200
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CID 112514733
N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine
CID 102838929
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine
CID 81018961
N-[3-(2-propoxyphenyl)butyl]cyclopropanamine
CID 113438607
1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene
CID 83939698
N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019318
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81018729
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81020121
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118464

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine (CID 112514545) is N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine is COc1ccc(C(C)CCNC2CC2)c(C)c1C.
What is the InChIKey of N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine?
The InChIKey is BUOZZZYDZZAILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(9-10-17-14-5-6-14)15-7-8-16(18-4)13(3)12(15)2/h7-8,11,14,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine?
N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine is sourced from PubChem (CID 112514545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).