4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline

C15H25ClN2 — CID 81165840

IUPAC4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
SMILESCCC(N)Cc1ccc(N(CC)C(C)C)c(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-5-13(17)9-12-7-8-15(14(16)10-12)18(6-2)11(3)4/h7-8,10-11,13H,5-6,9,17H2,1-4H3
InChIKeyMTQQCYHVYTXFDG-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.85
Rot. Bonds6

About 4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline

4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline (PubChem CID 81165840) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
PubChem CID81165840
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
SMILESCCC(N)Cc1ccc(N(CC)C(C)C)c(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-5-13(17)9-12-7-8-15(14(16)10-12)18(6-2)11(3)4/h7-8,10-11,13H,5-6,9,17H2,1-4H3
InChIKeyMTQQCYHVYTXFDG-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165839
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 81166065
4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81166458
4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
CID 81165762
4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 63785303
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
CID 81148688
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81159789
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 81165724
4-(2-aminopropyl)-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 81159811
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline?
The IUPAC name of 4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline (CID 81165840) is 4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline?
The canonical SMILES for 4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline is CCC(N)Cc1ccc(N(CC)C(C)C)c(Cl)c1.
What is the InChIKey of 4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline?
The InChIKey is MTQQCYHVYTXFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-13(17)9-12-7-8-15(14(16)10-12)18(6-2)11(3)4/h7-8,10-11,13H,5-6,9,17H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline?
4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline has a molecular weight of 268.83 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline is sourced from PubChem (CID 81165840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).