2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline

C15H25ClN2 — CID 114861429

IUPAC2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
SMILESCC(N)Cc1ccc(Cl)cc1N(C)CC(C)(C)C
InChIInChI=1S/C15H25ClN2/c1-11(17)8-12-6-7-13(16)9-14(12)18(5)10-15(2,3)4/h6-7,9,11H,8,10,17H2,1-5H3
InChIKeyTUFVYXXQWKCWGM-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.71
Rot. Bonds4

About 2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline

2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline (PubChem CID 114861429) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
PubChem CID114861429
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
SMILESCC(N)Cc1ccc(Cl)cc1N(C)CC(C)(C)C
InChIInChI=1S/C15H25ClN2/c1-11(17)8-12-6-7-13(16)9-14(12)18(5)10-15(2,3)4/h6-7,9,11H,8,10,17H2,1-5H3
InChIKeyTUFVYXXQWKCWGM-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114861536
2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114861661
2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 114861214
2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
CID 114861417
[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
CID 114845501
4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850364
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114861531
5-chloro-2-(chloromethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 114846372
2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 114860300
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline (CID 114861429) is 2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline is CC(N)Cc1ccc(Cl)cc1N(C)CC(C)(C)C.
What is the InChIKey of 2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline?
The InChIKey is TUFVYXXQWKCWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-11(17)8-12-6-7-13(16)9-14(12)18(5)10-15(2,3)4/h6-7,9,11H,8,10,17H2,1-5H3.
What are the key properties of 2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline?
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline has a molecular weight of 268.83 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline is sourced from PubChem (CID 114861429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).