4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline

C14H22N2O — CID 43458835

IUPAC4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)CC1CCCO1
InChIInChI=1S/C14H22N2O/c1-2-16(11-14-4-3-9-17-14)10-12-5-7-13(15)8-6-12/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeySUFHKVXZQDYHCQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds5

About 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline

4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline (PubChem CID 43458835) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
PubChem CID43458835
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)CC1CCCO1
InChIInChI=1S/C14H22N2O/c1-2-16(11-14-4-3-9-17-14)10-12-5-7-13(15)8-6-12/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeySUFHKVXZQDYHCQ-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62182826
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433743
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
4-[[[(2R)-oxan-2-yl]methyl-propan-2-ylamino]methyl]aniline
CID 93204540
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
N-[(3-bromophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646761
4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline
CID 64532725
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879246
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904078

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline (CID 43458835) is 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline is CCN(Cc1ccc(N)cc1)CC1CCCO1.
What is the InChIKey of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline?
The InChIKey is SUFHKVXZQDYHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-16(11-14-4-3-9-17-14)10-12-5-7-13(15)8-6-12/h5-8,14H,2-4,9-11,15H2,1H3.
What are the key properties of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline?
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43458835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).