1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine

C14H22N2O — CID 115256879

IUPAC1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
SMILESCOc1ccc(CCNCC2(N)CC2)cc1C
InChIInChI=1S/C14H22N2O/c1-11-9-12(3-4-13(11)17-2)5-8-16-10-14(15)6-7-14/h3-4,9,16H,5-8,10,15H2,1-2H3
InChIKeyJTGCARXMPHTJAT-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.63
Rot. Bonds6

About 1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine

1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine (PubChem CID 115256879) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
PubChem CID115256879
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
SMILESCOc1ccc(CCNCC2(N)CC2)cc1C
InChIInChI=1S/C14H22N2O/c1-11-9-12(3-4-13(11)17-2)5-8-16-10-14(15)6-7-14/h3-4,9,16H,5-8,10,15H2,1-2H3
InChIKeyJTGCARXMPHTJAT-UHFFFAOYSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.63
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-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256919
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244866
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234199
1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182752
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025
1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine
CID 115256889
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 115673846

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine (CID 115256879) is 1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine is COc1ccc(CCNCC2(N)CC2)cc1C.
What is the InChIKey of 1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine?
The InChIKey is JTGCARXMPHTJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-9-12(3-4-13(11)17-2)5-8-16-10-14(15)6-7-14/h3-4,9,16H,5-8,10,15H2,1-2H3.
What are the key properties of 1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine?
1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115256879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).