1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine

C15H23NO — CID 116929141

IUPAC1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(Cc2cc(C)c(OC)c(C)c2)CC1
InChIInChI=1S/C15H23NO/c1-11-7-13(8-12(2)14(11)17-4)9-15(5-6-15)10-16-3/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyRMASJZGPRSGPAD-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.85
Rot. Bonds5

About 1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine

1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine (PubChem CID 116929141) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine
PubChem CID116929141
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(Cc2cc(C)c(OC)c(C)c2)CC1
InChIInChI=1S/C15H23NO/c1-11-7-13(8-12(2)14(11)17-4)9-15(5-6-15)10-16-3/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyRMASJZGPRSGPAD-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 116929052
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine
CID 65194645
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724590
2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244536
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244866
N-(4-methoxy-3,5-dimethylphenyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182914
1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906948
2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244616
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine (CID 116929141) is 1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine is CNCC1(Cc2cc(C)c(OC)c(C)c2)CC1.
What is the InChIKey of 1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine?
The InChIKey is RMASJZGPRSGPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-13(8-12(2)14(11)17-4)9-15(5-6-15)10-16-3/h7-8,16H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine?
1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116929141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).