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

C15H24N2O — CID 115256919

IUPAC1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
SMILESCCOc1ccc(CCNCC2(N)CC2)cc1C
InChIInChI=1S/C15H24N2O/c1-3-18-14-5-4-13(10-12(14)2)6-9-17-11-15(16)7-8-15/h4-5,10,17H,3,6-9,11,16H2,1-2H3
InChIKeySMYPDUKIZXNUHN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.02
Rot. Bonds7

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

1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine (PubChem CID 115256919) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
PubChem CID115256919
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
SMILESCCOc1ccc(CCNCC2(N)CC2)cc1C
InChIInChI=1S/C15H24N2O/c1-3-18-14-5-4-13(10-12(14)2)6-9-17-11-15(16)7-8-15/h4-5,10,17H,3,6-9,11,16H2,1-2H3
InChIKeySMYPDUKIZXNUHN-UHFFFAOYSA-N
XLogP2.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.02
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'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115244309
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one
CID 115235921
2-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]butan-1-ol
CID 115251012
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244866
[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243464
1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine
CID 115256889
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
CID 96659154
2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261118

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine (CID 115256919) is 1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine is CCOc1ccc(CCNCC2(N)CC2)cc1C.
What is the InChIKey of 1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine?
The InChIKey is SMYPDUKIZXNUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-14-5-4-13(10-12(14)2)6-9-17-11-15(16)7-8-15/h4-5,10,17H,3,6-9,11,16H2,1-2H3.
What are the key properties of 1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine?
1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115256919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).