N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine

C13H19NO — CID 115654216

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine
SMILESCOCc1ccc(CNC2(C)CC2)cc1
InChIInChI=1S/C13H19NO/c1-13(7-8-13)14-9-11-3-5-12(6-4-11)10-15-2/h3-6,14H,7-10H2,1-2H3
InChIKeyDPLFVZOTBRVNFP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.48
Rot. Bonds5

About N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine

N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine (PubChem CID 115654216) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine
PubChem CID115654216
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine
SMILESCOCc1ccc(CNC2(C)CC2)cc1
InChIInChI=1S/C13H19NO/c1-13(7-8-13)14-9-11-3-5-12(6-4-11)10-15-2/h3-6,14H,7-10H2,1-2H3
InChIKeyDPLFVZOTBRVNFP-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
CID 113338521
N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline
CID 115635128
1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748
methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate
CID 115924433
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965630
N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine
CID 82710687
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 64687047
1-[4-(methoxymethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267089
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635166

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine (CID 115654216) is N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine is COCc1ccc(CNC2(C)CC2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine?
The InChIKey is DPLFVZOTBRVNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(7-8-13)14-9-11-3-5-12(6-4-11)10-15-2/h3-6,14H,7-10H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine?
N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 115654216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).