N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine

C15H23NO — CID 112518040

IUPACN-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine
SMILESCOc1ccc(CCC(C)NC2CC2)cc1C
InChIInChI=1S/C15H23NO/c1-11-10-13(6-9-15(11)17-3)5-4-12(2)16-14-7-8-14/h6,9-10,12,14,16H,4-5,7-8H2,1-3H3
InChIKeyUGTXJXIMUWKCIW-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.08
Rot. Bonds6

About N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine

N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine (PubChem CID 112518040) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine
PubChem CID112518040
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine
SMILESCOc1ccc(CCC(C)NC2CC2)cc1C
InChIInChI=1S/C15H23NO/c1-11-10-13(6-9-15(11)17-3)5-4-12(2)16-14-7-8-14/h6,9-10,12,14,16H,4-5,7-8H2,1-3H3
InChIKeyUGTXJXIMUWKCIW-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene
CID 143542362
N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207128
N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696394
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 55039758
1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
CID 21150467
N-[(4-methoxy-3-methylphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61206805
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine?
The IUPAC name of N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine (CID 112518040) is N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine?
The canonical SMILES for N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine is COc1ccc(CCC(C)NC2CC2)cc1C.
What is the InChIKey of N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine?
The InChIKey is UGTXJXIMUWKCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-10-13(6-9-15(11)17-3)5-4-12(2)16-14-7-8-14/h6,9-10,12,14,16H,4-5,7-8H2,1-3H3.
What are the key properties of N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine?
N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine has a molecular weight of 233.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine is sourced from PubChem (CID 112518040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).