N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline

C18H30N2O — CID 103802259

IUPACN,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
SMILESCCN(CC)c1ccc(CNCC2(CCOC)CC2)cc1
InChIInChI=1S/C18H30N2O/c1-4-20(5-2)17-8-6-16(7-9-17)14-19-15-18(10-11-18)12-13-21-3/h6-9,19H,4-5,10-15H2,1-3H3
InChIKeyTXVADQNGEDHVFP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds10

About N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline

N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline (PubChem CID 103802259) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
PubChem CID103802259
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
SMILESCCN(CC)c1ccc(CNCC2(CCOC)CC2)cc1
InChIInChI=1S/C18H30N2O/c1-4-20(5-2)17-8-6-16(7-9-17)14-19-15-18(10-11-18)12-13-21-3/h6-9,19H,4-5,10-15H2,1-3H3
InChIKeyTXVADQNGEDHVFP-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[[(1-methylcyclopropyl)methylamino]methyl]aniline
CID 103724362
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802392
1-(furan-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 115735952
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
CID 115735920
N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline
CID 82714297
2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 114112982
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802349
1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802463
3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol
CID 103802319

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline?
The IUPAC name of N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline (CID 103802259) is N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline is CCN(CC)c1ccc(CNCC2(CCOC)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline?
The InChIKey is TXVADQNGEDHVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20(5-2)17-8-6-16(7-9-17)14-19-15-18(10-11-18)12-13-21-3/h6-9,19H,4-5,10-15H2,1-3H3.
What are the key properties of N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline?
N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline has a molecular weight of 290.45 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline is sourced from PubChem (CID 103802259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).