N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline

C14H22N2O — CID 115256537

IUPACN-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline
SMILESCOc1ccc(N(C)CC2(N)CC2)c(C)c1C
InChIInChI=1S/C14H22N2O/c1-10-11(2)13(17-4)6-5-12(10)16(3)9-14(15)7-8-14/h5-6H,7-9,15H2,1-4H3
InChIKeyKZUWECUATXBVAS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.24
Rot. Bonds4

About N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline

N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline (PubChem CID 115256537) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline
PubChem CID115256537
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline
SMILESCOc1ccc(N(C)CC2(N)CC2)c(C)c1C
InChIInChI=1S/C14H22N2O/c1-10-11(2)13(17-4)6-5-12(10)16(3)9-14(15)7-8-14/h5-6H,7-9,15H2,1-4H3
InChIKeyKZUWECUATXBVAS-UHFFFAOYSA-N
XLogP2.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N,2,3-trimethylaniline
CID 115244001
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
CID 115256482
3-[(4-methoxy-N,2,3-trimethylanilino)methyl]oxetane-3-carbonitrile
CID 115247896
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196412
3-N-(4-methoxy-2,3-dimethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119560
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline
CID 115256470
2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 82494478
N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline
CID 84781400
N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
CID 115256590
2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039909
3-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161427

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline (CID 115256537) is N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline is COc1ccc(N(C)CC2(N)CC2)c(C)c1C.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline?
The InChIKey is KZUWECUATXBVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-11(2)13(17-4)6-5-12(10)16(3)9-14(15)7-8-14/h5-6H,7-9,15H2,1-4H3.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline?
N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline is sourced from PubChem (CID 115256537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).