4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline

C15H25ClN2 — CID 81165921

IUPAC4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(N)Cc1ccc(N(C)C(C)C(C)C)c(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-10(2)12(4)18(5)15-7-6-13(8-11(3)17)9-14(15)16/h6-7,9-12H,8,17H2,1-5H3
InChIKeyOYWFELZSPDOIGY-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.71
Rot. Bonds5

About 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline

4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 81165921) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
PubChem CID81165921
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(N)Cc1ccc(N(C)C(C)C(C)C)c(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-10(2)12(4)18(5)15-7-6-13(8-11(3)17)9-14(15)16/h6-7,9-12H,8,17H2,1-5H3
InChIKeyOYWFELZSPDOIGY-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81165775
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165839
4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81166458
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314
4-(2-aminopropyl)-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 81159811
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630
4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81165610
4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline
CID 81165870
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
(1S)-1-[3-chloro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63370881
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81166154

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline (CID 81165921) is 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline is CC(N)Cc1ccc(N(C)C(C)C(C)C)c(Cl)c1.
What is the InChIKey of 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is OYWFELZSPDOIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-10(2)12(4)18(5)15-7-6-13(8-11(3)17)9-14(15)16/h6-7,9-12H,8,17H2,1-5H3.
What are the key properties of 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline?
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 268.83 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 81165921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).