N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline

C14H22N2O2 — CID 115243916

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
SMILESCOc1cc(C)c(NCC2(CN)CC2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-11(17-2)7-12(18-3)13(10)16-9-14(8-15)4-5-14/h6-7,16H,4-5,8-9,15H2,1-3H3
InChIKeyYWXYNXIIIODGIC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline (PubChem CID 115243916) 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-6-methylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
PubChem CID115243916
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
SMILESCOc1cc(C)c(NCC2(CN)CC2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-11(17-2)7-12(18-3)13(10)16-9-14(8-15)4-5-14/h6-7,16H,4-5,8-9,15H2,1-3H3
InChIKeyYWXYNXIIIODGIC-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)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
CID 115243925
1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245077
2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244536
1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
CID 115200420
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115243877
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115244170
2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
CID 115120337
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxyaniline
CID 115243825
2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071796
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 115244105

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline (CID 115243916) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline is COc1cc(C)c(NCC2(CN)CC2)c(OC)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline?
The InChIKey is YWXYNXIIIODGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-11(17-2)7-12(18-3)13(10)16-9-14(8-15)4-5-14/h6-7,16H,4-5,8-9,15H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-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-6-methylaniline is sourced from PubChem (CID 115243916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).