4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline

C12H19ClN2O — CID 81052953

IUPAC4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline
SMILESCCOCCN(C)c1ccc(CN)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-3-16-7-6-15(2)12-5-4-10(9-14)8-11(12)13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyDHMWGUFYFMQKPL-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.27
Rot. Bonds6

About 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline

4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline (PubChem CID 81052953) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline
PubChem CID81052953
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline
SMILESCCOCCN(C)c1ccc(CN)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-3-16-7-6-15(2)12-5-4-10(9-14)8-11(12)13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyDHMWGUFYFMQKPL-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81052956
2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
CID 63088172
4-(bromomethyl)-2-chloro-N-(2-ethoxyethyl)-N-ethylaniline
CID 107083639
[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol
CID 81058166
2-(bromomethyl)-4-chloro-N-(2-ethoxyethyl)-N-methylaniline
CID 107084755
4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 78924390
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
2-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(propylaminomethyl)aniline
CID 81144926
4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63088341
2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 81149144
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82961058
3-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridin-4-amine
CID 81248237

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline (CID 81052953) is 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline is CCOCCN(C)c1ccc(CN)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline?
The InChIKey is DHMWGUFYFMQKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-16-7-6-15(2)12-5-4-10(9-14)8-11(12)13/h4-5,8H,3,6-7,9,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline?
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline has a molecular weight of 242.75 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline is sourced from PubChem (CID 81052953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).