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

C15H25ClN2O2 — CID 81166314

IUPAC4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc(CC(C)N)cc1Cl
InChIInChI=1S/C15H25ClN2O2/c1-12(17)10-13-4-5-15(14(16)11-13)18(6-8-19-2)7-9-20-3/h4-5,11-12H,6-10,17H2,1-3H3
InChIKeyUSARZYDKXKWBBL-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.33
Rot. Bonds9

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

4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline (PubChem CID 81166314) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
PubChem CID81166314
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc(CC(C)N)cc1Cl
InChIInChI=1S/C15H25ClN2O2/c1-12(17)10-13-4-5-15(14(16)11-13)18(6-8-19-2)7-9-20-3/h4-5,11-12H,6-10,17H2,1-3H3
InChIKeyUSARZYDKXKWBBL-UHFFFAOYSA-N
XLogP2.33
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166238
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 55189591
N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81165775
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 81165921
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165839
2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 63817543
4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline
CID 81165870
1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 62910072
4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
CID 63817388
4-(2-aminopropyl)-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 81159811
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline (CID 81166314) is 4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1ccc(CC(C)N)cc1Cl.
What is the InChIKey of 4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is USARZYDKXKWBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-12(17)10-13-4-5-15(14(16)11-13)18(6-8-19-2)7-9-20-3/h4-5,11-12H,6-10,17H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 300.83 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 81166314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).