2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline

C15H25ClN2 — CID 114861536

IUPAC2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
SMILESCC(C)CCN(C)c1cc(Cl)ccc1CC(C)N
InChIInChI=1S/C15H25ClN2/c1-11(2)7-8-18(4)15-10-14(16)6-5-13(15)9-12(3)17/h5-6,10-12H,7-9,17H2,1-4H3
InChIKeyAAGYVDRKTFLEDZ-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.71
Rot. Bonds6

About 2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline

2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline (PubChem CID 114861536) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
PubChem CID114861536
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
SMILESCC(C)CCN(C)c1cc(Cl)ccc1CC(C)N
InChIInChI=1S/C15H25ClN2/c1-11(2)7-8-18(4)15-10-14(16)6-5-13(15)9-12(3)17/h5-6,10-12H,7-9,17H2,1-4H3
InChIKeyAAGYVDRKTFLEDZ-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114848900
2-(bromomethyl)-4-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 107081165
[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
CID 114845343
5-chloro-2-(chloromethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 114846372
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
5-chloro-2-[methyl(3-methylbutyl)amino]benzenecarbothioamide
CID 62494542
2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
CID 114861417
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114861531

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline (CID 114861536) is 2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline is CC(C)CCN(C)c1cc(Cl)ccc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline?
The InChIKey is AAGYVDRKTFLEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-11(2)7-8-18(4)15-10-14(16)6-5-13(15)9-12(3)17/h5-6,10-12H,7-9,17H2,1-4H3.
What are the key properties of 2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline?
2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline has a molecular weight of 268.83 g/mol, XLogP of 3.71, 6 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-methyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 114861536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).