1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine

C15H23NO4 — CID 106929200

IUPAC1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OCOCC2CC2)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-16-8-12-6-13(17-2)15(14(7-12)18-3)20-10-19-9-11-4-5-11/h6-7,11,16H,4-5,8-10H2,1-3H3
InChIKeyYSKLCRNSFBKGFY-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.19
Rot. Bonds9

About 1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine

1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine (PubChem CID 106929200) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
PubChem CID106929200
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OCOCC2CC2)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-16-8-12-6-13(17-2)15(14(7-12)18-3)20-10-19-9-11-4-5-11/h6-7,11,16H,4-5,8-10H2,1-3H3
InChIKeyYSKLCRNSFBKGFY-UHFFFAOYSA-N
XLogP2.19
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene
CID 106929889
1-[3,5-dibromo-4-(cyclopropylmethoxymethoxy)phenyl]-N-methylmethanamine
CID 107741896
1-bromo-5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-3-methoxybenzene
CID 106929890
1-[4-(cyclopropylmethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 106929309
N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 106929288
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 65176513
N-[[5-chloro-2-(cyclopropylmethoxymethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 106929446
1-[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 60889448
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine (CID 106929200) is 1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine is CNCc1cc(OC)c(OCOCC2CC2)c(OC)c1.
What is the InChIKey of 1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The InChIKey is YSKLCRNSFBKGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-16-8-12-6-13(17-2)15(14(7-12)18-3)20-10-19-9-11-4-5-11/h6-7,11,16H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine has a molecular weight of 281.35 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 106929200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).