5-(2-aminoethyl)-2-methylaniline

C9H14N2 — CID 58409288

IUPAC5-(2-aminoethyl)-2-methylaniline
SMILESCc1ccc(CCN)cc1N
InChIInChI=1S/C9H14N2/c1-7-2-3-8(4-5-10)6-9(7)11/h2-3,6H,4-5,10-11H2,1H3
InChIKeyBESFPWOMFBEZLN-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.08
Rot. Bonds2

About 5-(2-aminoethyl)-2-methylaniline

5-(2-aminoethyl)-2-methylaniline (PubChem CID 58409288) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-methylaniline.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-methylaniline
PubChem CID58409288
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-(2-aminoethyl)-2-methylaniline
SMILESCc1ccc(CCN)cc1N
InChIInChI=1S/C9H14N2/c1-7-2-3-8(4-5-10)6-9(7)11/h2-3,6H,4-5,10-11H2,1H3
InChIKeyBESFPWOMFBEZLN-UHFFFAOYSA-N
XLogP1.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
CID 143291717
3-(3-amino-4-methylphenyl)propanoic acid
CID 46948732
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
4-methylbenzene-1,3-diamine
CID 159171817
[5-(2-aminoethyl)-2-methylphenoxy]methanetriamine
CID 163516444
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
5-(ethylsulfonylmethyl)-2-methylaniline
CID 117221652
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine
CID 115052687
2-[5-(2-aminoethyl)-2-methylphenyl]phenol
CID 115036237

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-methylaniline?
The IUPAC name of 5-(2-aminoethyl)-2-methylaniline (CID 58409288) is 5-(2-aminoethyl)-2-methylaniline.
What is the SMILES notation for 5-(2-aminoethyl)-2-methylaniline?
The canonical SMILES for 5-(2-aminoethyl)-2-methylaniline is Cc1ccc(CCN)cc1N.
What is the InChIKey of 5-(2-aminoethyl)-2-methylaniline?
The InChIKey is BESFPWOMFBEZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-2-3-8(4-5-10)6-9(7)11/h2-3,6H,4-5,10-11H2,1H3.
What are the key properties of 5-(2-aminoethyl)-2-methylaniline?
5-(2-aminoethyl)-2-methylaniline has a molecular weight of 150.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-methylaniline is sourced from PubChem (CID 58409288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).