N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline

C14H22N2O2 — CID 115243877

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
SMILESCOc1ccc(NCC2(CN)CC2)c(OC)c1C
InChIInChI=1S/C14H22N2O2/c1-10-12(17-2)5-4-11(13(10)18-3)16-9-14(8-15)6-7-14/h4-5,16H,6-9,15H2,1-3H3
InChIKeyIEPHBAAEAOGPFJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline (PubChem CID 115243877) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
PubChem CID115243877
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
SMILESCOc1ccc(NCC2(CN)CC2)c(OC)c1C
InChIInChI=1S/C14H22N2O2/c1-10-12(17-2)5-4-11(13(10)18-3)16-9-14(8-15)6-7-14/h4-5,16H,6-9,15H2,1-3H3
InChIKeyIEPHBAAEAOGPFJ-UHFFFAOYSA-N
XLogP2.16
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115245612
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
CID 115243925
N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252337
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxyaniline
CID 115243825
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
CID 115245654
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
CID 115243916
3-(2,4-dimethoxy-3-methylanilino)propanenitrile
CID 115230671
4-(2,4-dimethoxy-3-methylanilino)butan-1-ol
CID 115217383
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115244001
2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile
CID 65482331

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline (CID 115243877) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline is COc1ccc(NCC2(CN)CC2)c(OC)c1C.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline?
The InChIKey is IEPHBAAEAOGPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-12(17-2)5-4-11(13(10)18-3)16-9-14(8-15)6-7-14/h4-5,16H,6-9,15H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline has a molecular weight of 250.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline is sourced from PubChem (CID 115243877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).