3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline

C13H19N — CID 131186122

IUPAC3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCCc1cccc(NCC2CC2C)c1
InChIInChI=1S/C13H19N/c1-3-11-5-4-6-13(8-11)14-9-12-7-10(12)2/h4-6,8,10,12,14H,3,7,9H2,1-2H3
InChIKeyGAVJZGONHPYWDR-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.32
Rot. Bonds4

About 3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline

3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline (PubChem CID 131186122) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline
PubChem CID131186122
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCCc1cccc(NCC2CC2C)c1
InChIInChI=1S/C13H19N/c1-3-11-5-4-6-13(8-11)14-9-12-7-10(12)2/h4-6,8,10,12,14H,3,7,9H2,1-2H3
InChIKeyGAVJZGONHPYWDR-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol
CID 130874904
3-ethynyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 130617398
CID 58064173
CID 58064173
N'-(3-ethylphenyl)methanediamine
CID 89312870
3-ethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131230
3-ethyl-N-(2-methylcyclobutyl)aniline
CID 126973402
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
4-[(2-methylcyclopropyl)methylamino]phenol
CID 130679284
2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
CID 81411805
N-cyclohexyl-3-ethylaniline
CID 11009024
4-(3-ethylanilino)-2-methylbutan-2-ol
CID 79360431

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline?
The IUPAC name of 3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline (CID 131186122) is 3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline is CCc1cccc(NCC2CC2C)c1.
What is the InChIKey of 3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline?
The InChIKey is GAVJZGONHPYWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-5-4-6-13(8-11)14-9-12-7-10(12)2/h4-6,8,10,12,14H,3,7,9H2,1-2H3.
What are the key properties of 3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline?
3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline has a molecular weight of 189.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 131186122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).