N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine

C14H22N2O — CID 115244276

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCC2(CN)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-17-13-4-2-12(3-5-13)6-9-16-11-14(10-15)7-8-14/h2-5,16H,6-11,15H2,1H3
InChIKeyVCWSJDJMCMOSOD-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.57
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 115244276) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID115244276
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCC2(CN)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-17-13-4-2-12(3-5-13)6-9-16-11-14(10-15)7-8-14/h2-5,16H,6-11,15H2,1H3
InChIKeyVCWSJDJMCMOSOD-UHFFFAOYSA-N
XLogP1.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115245897
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
CID 115244307
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115244272
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115244287
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine
CID 115244164
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115244309
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine
CID 116929036

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine (CID 115244276) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCC2(CN)CC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is VCWSJDJMCMOSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-13-4-2-12(3-5-13)6-9-16-11-14(10-15)7-8-14/h2-5,16H,6-11,15H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.57, 7 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-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115244276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).