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

C13H20N2 — CID 60930044

IUPAC4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline
SMILESCCN(c1ccc(CN)cc1C)C1CC1
InChIInChI=1S/C13H20N2/c1-3-15(12-5-6-12)13-7-4-11(9-14)8-10(13)2/h4,7-8,12H,3,5-6,9,14H2,1-2H3
InChIKeyKBDHQMKTNNYUGL-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.44
Rot. Bonds4

About 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline

4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline (PubChem CID 60930044) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline
PubChem CID60930044
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline
SMILESCCN(c1ccc(CN)cc1C)C1CC1
InChIInChI=1S/C13H20N2/c1-3-15(12-5-6-12)13-7-4-11(9-14)8-10(13)2/h4,7-8,12H,3,5-6,9,14H2,1-2H3
InChIKeyKBDHQMKTNNYUGL-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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Related Compounds

4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline
CID 82794328
N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 63553009
N-cyclopropyl-N-ethyl-2-methylaniline
CID 123141006
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline
CID 62307923
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 60930401
5-(aminomethyl)-N-cyclopentyl-N-ethyl-3-methylpyridin-2-amine
CID 80629924
N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline
CID 62120321
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
CID 63783721

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline (CID 60930044) is 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline is CCN(c1ccc(CN)cc1C)C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline?
The InChIKey is KBDHQMKTNNYUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15(12-5-6-12)13-7-4-11(9-14)8-10(13)2/h4,7-8,12H,3,5-6,9,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline?
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-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 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline is sourced from PubChem (CID 60930044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).