4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline

C14H24N2O — CID 63783455

IUPAC4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
SMILESCOCCCN(C)c1ccc(CCN)c(C)c1
InChIInChI=1S/C14H24N2O/c1-12-11-14(6-5-13(12)7-8-15)16(2)9-4-10-17-3/h5-6,11H,4,7-10,15H2,1-3H3
InChIKeyYWVPKMFCFKDKLN-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.97
Rot. Bonds7

About 4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline

4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline (PubChem CID 63783455) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
PubChem CID63783455
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
SMILESCOCCCN(C)c1ccc(CCN)c(C)c1
InChIInChI=1S/C14H24N2O/c1-12-11-14(6-5-13(12)7-8-15)16(2)9-4-10-17-3/h5-6,11H,4,7-10,15H2,1-3H3
InChIKeyYWVPKMFCFKDKLN-UHFFFAOYSA-N
XLogP1.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 55236025
4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline
CID 114238540
4-(2-aminoethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)aniline
CID 112666709
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 63784792
4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline
CID 63785848
4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 81279372
N-butyl-4-[(2-methoxyethylamino)methyl]-N,3-dimethylaniline
CID 63060156
4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
CID 63783395
4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
CID 81273880
4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
CID 55237346
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784236

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline (CID 63783455) is 4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline is COCCCN(C)c1ccc(CCN)c(C)c1.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline?
The InChIKey is YWVPKMFCFKDKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-11-14(6-5-13(12)7-8-15)16(2)9-4-10-17-3/h5-6,11H,4,7-10,15H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline?
4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline has a molecular weight of 236.36 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline is sourced from PubChem (CID 63783455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).