2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline

C14H23ClN2 — CID 63959947

IUPAC2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1cccc(Cl)c1CCN
InChIInChI=1S/C14H23ClN2/c1-5-14(2,3)17(4)13-8-6-7-12(15)11(13)9-10-16/h6-8H,5,9-10,16H2,1-4H3
InChIKeyFUSATCKSLOJIFT-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.47
Rot. Bonds5

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

2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline (PubChem CID 63959947) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
PubChem CID63959947
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1cccc(Cl)c1CCN
InChIInChI=1S/C14H23ClN2/c1-5-14(2,3)17(4)13-8-6-7-12(15)11(13)9-10-16/h6-8H,5,9-10,16H2,1-4H3
InChIKeyFUSATCKSLOJIFT-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline (CID 63959947) is 2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline is CCC(C)(C)N(C)c1cccc(Cl)c1CCN.
What is the InChIKey of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline?
The InChIKey is FUSATCKSLOJIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-5-14(2,3)17(4)13-8-6-7-12(15)11(13)9-10-16/h6-8H,5,9-10,16H2,1-4H3.
What are the key properties of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline?
2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline has a molecular weight of 254.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 63959947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).