N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine

C15H23NO3 — CID 103724305

IUPACN-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCC1(C)CC1
InChIInChI=1S/C15H23NO3/c1-15(5-6-15)10-16-9-11-7-13(18-3)14(19-4)8-12(11)17-2/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyVXSJWEHQMNUJJO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.60
Rot. Bonds7

About N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine

N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 103724305) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID103724305
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCC1(C)CC1
InChIInChI=1S/C15H23NO3/c1-15(5-6-15)10-16-9-11-7-13(18-3)14(19-4)8-12(11)17-2/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyVXSJWEHQMNUJJO-UHFFFAOYSA-N
XLogP2.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621533
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957307
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
N-[(2,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6461052
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743388
2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804
1-[[(2-methoxy-4,5-dimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245252

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine (CID 103724305) is N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine is COc1cc(OC)c(OC)cc1CNCC1(C)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is VXSJWEHQMNUJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(5-6-15)10-16-9-11-7-13(18-3)14(19-4)8-12(11)17-2/h7-8,16H,5-6,9-10H2,1-4H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 103724305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).