N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine

C16H26N2O — CID 115244307

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
SMILESCCc1ccc(OC)c(CCNCC2(CN)CC2)c1
InChIInChI=1S/C16H26N2O/c1-3-13-4-5-15(19-2)14(10-13)6-9-18-12-16(11-17)7-8-16/h4-5,10,18H,3,6-9,11-12,17H2,1-2H3
InChIKeyVVTRQGRXBTXSOJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.13
Rot. Bonds8

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine (PubChem CID 115244307) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
PubChem CID115244307
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
SMILESCCc1ccc(OC)c(CCNCC2(CN)CC2)c1
InChIInChI=1S/C16H26N2O/c1-3-13-4-5-15(19-2)14(10-13)6-9-18-12-16(11-17)7-8-16/h4-5,10,18H,3,6-9,11-12,17H2,1-2H3
InChIKeyVVTRQGRXBTXSOJ-UHFFFAOYSA-N
XLogP2.13
TPSA47.28 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 ≤ 52.13
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-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243653
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115244276
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-fluoro-2-methoxyphenyl)methanamine
CID 115244075
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
CID 115271280
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115244309
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115245897
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 115258035
N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
CID 115225717
1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242493
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine (CID 115244307) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine is CCc1ccc(OC)c(CCNCC2(CN)CC2)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine?
The InChIKey is VVTRQGRXBTXSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-13-4-5-15(19-2)14(10-13)6-9-18-12-16(11-17)7-8-16/h4-5,10,18H,3,6-9,11-12,17H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 115244307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).