2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline

C13H20N2 — CID 62307923

IUPAC2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline
SMILESCCN(c1cc(C)ccc1CN)C1CC1
InChIInChI=1S/C13H20N2/c1-3-15(12-6-7-12)13-8-10(2)4-5-11(13)9-14/h4-5,8,12H,3,6-7,9,14H2,1-2H3
InChIKeyYEQDOCRDCSYWPU-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.44
Rot. Bonds4

About 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline

2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline (PubChem CID 62307923) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline
PubChem CID62307923
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline
SMILESCCN(c1cc(C)ccc1CN)C1CC1
InChIInChI=1S/C13H20N2/c1-3-15(12-6-7-12)13-8-10(2)4-5-11(13)9-14/h4-5,8,12H,3,6-7,9,14H2,1-2H3
InChIKeyYEQDOCRDCSYWPU-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline (CID 62307923) is 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline is CCN(c1cc(C)ccc1CN)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline?
The InChIKey is YEQDOCRDCSYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15(12-6-7-12)13-8-10(2)4-5-11(13)9-14/h4-5,8,12H,3,6-7,9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline?
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline is sourced from PubChem (CID 62307923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).