4-(2-aminoethyl)-N,N,2-trimethylaniline

C11H18N2 — CID 18543495

IUPAC4-(2-aminoethyl)-N,N,2-trimethylaniline
SMILESCc1cc(CCN)ccc1N(C)C
InChIInChI=1S/C11H18N2/c1-9-8-10(6-7-12)4-5-11(9)13(2)3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyXROJZLIRJNNLMR-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.56
Rot. Bonds3

About 4-(2-aminoethyl)-N,N,2-trimethylaniline

4-(2-aminoethyl)-N,N,2-trimethylaniline (PubChem CID 18543495) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,N,2-trimethylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,N,2-trimethylaniline
PubChem CID18543495
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(2-aminoethyl)-N,N,2-trimethylaniline
SMILESCc1cc(CCN)ccc1N(C)C
InChIInChI=1S/C11H18N2/c1-9-8-10(6-7-12)4-5-11(9)13(2)3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyXROJZLIRJNNLMR-UHFFFAOYSA-N
XLogP1.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864950
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
4-(2-aminoethyl)-N-butyl-N-ethyl-2-methylaniline
CID 63782866
4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline
CID 79482768
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
CID 63786177
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline
CID 107402420
5-(2-aminoethyl)-2-methylaniline
CID 58409288
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane
CID 145332218
4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline
CID 115890541
4-chloro-N,N,2-trimethylaniline;ethane
CID 143418789

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,N,2-trimethylaniline?
The IUPAC name of 4-(2-aminoethyl)-N,N,2-trimethylaniline (CID 18543495) is 4-(2-aminoethyl)-N,N,2-trimethylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N,N,2-trimethylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N,N,2-trimethylaniline is Cc1cc(CCN)ccc1N(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N,N,2-trimethylaniline?
The InChIKey is XROJZLIRJNNLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-8-10(6-7-12)4-5-11(9)13(2)3/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N,N,2-trimethylaniline?
4-(2-aminoethyl)-N,N,2-trimethylaniline has a molecular weight of 178.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,N,2-trimethylaniline is sourced from PubChem (CID 18543495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).