2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine

C16H26N2O — CID 115244866

IUPAC2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
SMILESCNCC1(CNCCc2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C16H26N2O/c1-13-10-14(4-5-15(13)19-3)6-9-18-12-16(7-8-16)11-17-2/h4-5,10,17-18H,6-9,11-12H2,1-3H3
InChIKeySGHPHSRSLFHXMX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.14
Rot. Bonds8

About 2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine

2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine (PubChem CID 115244866) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
PubChem CID115244866
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
SMILESCNCC1(CNCCc2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C16H26N2O/c1-13-10-14(4-5-15(13)19-3)6-9-18-12-16(7-8-16)11-17-2/h4-5,10,17-18H,6-9,11-12H2,1-3H3
InChIKeySGHPHSRSLFHXMX-UHFFFAOYSA-N
XLogP2.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256879
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243653
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine
CID 115244887
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115249546
1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256919
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
CID 115244307
[1-[(4-methoxy-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82283087

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine (CID 115244866) is 2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine is CNCC1(CNCCc2ccc(OC)c(C)c2)CC1.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine?
The InChIKey is SGHPHSRSLFHXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-10-14(4-5-15(13)19-3)6-9-18-12-16(7-8-16)11-17-2/h4-5,10,17-18H,6-9,11-12H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine?
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 115244866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).