N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine

C15H23NO — CID 43493659

IUPACN-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(C)c1)C1CC1C
InChIInChI=1S/C15H23NO/c1-5-16-15(13-9-10(13)2)12-6-7-14(17-4)11(3)8-12/h6-8,10,13,15-16H,5,9H2,1-4H3
InChIKeyKYOSJNANKYKDNT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.31
Rot. Bonds5

About N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine

N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 43493659) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
PubChem CID43493659
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(C)c1)C1CC1C
InChIInChI=1S/C15H23NO/c1-5-16-15(13-9-10(13)2)12-6-7-14(17-4)11(3)8-12/h6-8,10,13,15-16H,5,9H2,1-4H3
InChIKeyKYOSJNANKYKDNT-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 63503340
(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methanamine
CID 43379643
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239
N-[(2-methylcyclopropyl)-(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 43490270
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490686
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 65297277
N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 65419758
N-[(2-methylcyclopropyl)-quinolin-7-ylmethyl]ethanamine
CID 81231204
N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 64730112

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine (CID 43493659) is N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine is CCNC(c1ccc(OC)c(C)c1)C1CC1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is KYOSJNANKYKDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-16-15(13-9-10(13)2)12-6-7-14(17-4)11(3)8-12/h6-8,10,13,15-16H,5,9H2,1-4H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 43493659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).