4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline

C14H23ClN2O2 — CID 81166238

IUPAC4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc(CCN)cc1Cl
InChIInChI=1S/C14H23ClN2O2/c1-18-9-7-17(8-10-19-2)14-4-3-12(5-6-16)11-13(14)15/h3-4,11H,5-10,16H2,1-2H3
InChIKeyQIFKYVJYLRBXKK-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.94
Rot. Bonds9

About 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline

4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline (PubChem CID 81166238) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
PubChem CID81166238
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc(CCN)cc1Cl
InChIInChI=1S/C14H23ClN2O2/c1-18-9-7-17(8-10-19-2)14-4-3-12(5-6-16)11-13(14)15/h3-4,11H,5-10,16H2,1-2H3
InChIKeyQIFKYVJYLRBXKK-UHFFFAOYSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
CID 81166516
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 55189591
2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
CID 62493985
4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81166471
4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline
CID 81166461
2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786522
2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371796
N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide
CID 58861095
1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 62910072
2-[bis(2-methoxyethyl)amino]-5-chlorobenzamide
CID 139902291
4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 81166285

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline (CID 81166238) is 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1ccc(CCN)cc1Cl.
What is the InChIKey of 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is QIFKYVJYLRBXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-18-9-7-17(8-10-19-2)14-4-3-12(5-6-16)11-13(14)15/h3-4,11H,5-10,16H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 286.80 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 81166238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).