4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline

C14H24N2O — CID 43457117

IUPAC4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
SMILESCCCN(CCOCC)c1ccc(CN)cc1
InChIInChI=1S/C14H24N2O/c1-3-9-16(10-11-17-4-2)14-7-5-13(12-15)6-8-14/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyUIGJSSQUCXZXFK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.40
Rot. Bonds8

About 4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline

4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline (PubChem CID 43457117) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
PubChem CID43457117
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
SMILESCCCN(CCOCC)c1ccc(CN)cc1
InChIInChI=1S/C14H24N2O/c1-3-9-16(10-11-17-4-2)14-7-5-13(12-15)6-8-14/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyUIGJSSQUCXZXFK-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.40
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

4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline
CID 54958363
[4-[bis(2-ethoxyethyl)amino]phenyl]methanol
CID 82951073
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline
CID 43275905
2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol
CID 158626212
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82961058
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline
CID 62699715
[N-(2-ethoxyethyl)-4-[[4-[2-(hydroxymethoxy)ethyl-(hydroxymethyl)amino]phenyl]methyl]anilino]methanol
CID 122645262
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407
4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine
CID 103180403
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
CID 102814011

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline (CID 43457117) is 4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline is CCCN(CCOCC)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline?
The InChIKey is UIGJSSQUCXZXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-9-16(10-11-17-4-2)14-7-5-13(12-15)6-8-14/h5-8H,3-4,9-12,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline?
4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline has a molecular weight of 236.36 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline is sourced from PubChem (CID 43457117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).