N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine

C13H19NO — CID 115594150

IUPACN-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCOc1ccc(CNCC2CC2C)cc1
InChIInChI=1S/C13H19NO/c1-10-7-12(10)9-14-8-11-3-5-13(15-2)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3
InChIKeyCEPGZUFZBFUERX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.44
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine

N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine (PubChem CID 115594150) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
PubChem CID115594150
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCOc1ccc(CNCC2CC2C)cc1
InChIInChI=1S/C13H19NO/c1-10-7-12(10)9-14-8-11-3-5-13(15-2)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3
InChIKeyCEPGZUFZBFUERX-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594125
3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214033
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115584359
4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 115594062
2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115652162
ethane;N-iodo-1-(4-methoxyphenyl)methanamine
CID 142382613
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine (CID 115594150) is N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine is COc1ccc(CNCC2CC2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The InChIKey is CEPGZUFZBFUERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-7-12(10)9-14-8-11-3-5-13(15-2)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 115594150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).