2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline

C16H27ClN2O — CID 63817543

IUPAC2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
SMILESCOCCN(CC(C)C)c1cccc(Cl)c1CC(C)N
InChIInChI=1S/C16H27ClN2O/c1-12(2)11-19(8-9-20-4)16-7-5-6-15(17)14(16)10-13(3)18/h5-7,12-13H,8-11,18H2,1-4H3
InChIKeyOHWNICBJZMSRGB-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.34
Rot. Bonds8

About 2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline

2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline (PubChem CID 63817543) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
PubChem CID63817543
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
SMILESCOCCN(CC(C)C)c1cccc(Cl)c1CC(C)N
InChIInChI=1S/C16H27ClN2O/c1-12(2)11-19(8-9-20-4)16-7-5-6-15(17)14(16)10-13(3)18/h5-7,12-13H,8-11,18H2,1-4H3
InChIKeyOHWNICBJZMSRGB-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-2-nitroaniline
CID 104838908
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987089
N'-[2-(2-aminopropyl)-3-chlorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63816000
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314
3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418447
2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline
CID 63817196
[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol
CID 63541422
2-(2-aminopropyl)-3-chloro-N-(4-methoxyphenyl)-N-methylaniline
CID 63815282
2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786522
2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
CID 63815822
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol
CID 103339584

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline (CID 63817543) is 2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline is COCCN(CC(C)C)c1cccc(Cl)c1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
The InChIKey is OHWNICBJZMSRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-12(2)11-19(8-9-20-4)16-7-5-6-15(17)14(16)10-13(3)18/h5-7,12-13H,8-11,18H2,1-4H3.
What are the key properties of 2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline has a molecular weight of 298.86 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline is sourced from PubChem (CID 63817543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).