3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline

C13H19N — CID 43363069

IUPAC3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCc1cccc(NC(C)C2(C)CC2)c1
InChIInChI=1S/C13H19N/c1-10-5-4-6-12(9-10)14-11(2)13(3)7-8-13/h4-6,9,11,14H,7-8H2,1-3H3
InChIKeyTUAOOQDJADQHEP-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.60
Rot. Bonds3

About 3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline

3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline (PubChem CID 43363069) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
PubChem CID43363069
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCc1cccc(NC(C)C2(C)CC2)c1
InChIInChI=1S/C13H19N/c1-10-5-4-6-12(9-10)14-11(2)13(3)7-8-13/h4-6,9,11,14H,7-8H2,1-3H3
InChIKeyTUAOOQDJADQHEP-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-N-[3-[1-(1-methylcyclopropyl)ethylamino]phenyl]propanamide
CID 75516778
N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 54864968
(2R,3R)-3-(3-methylanilino)butan-2-ol
CID 25072640
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613155
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43189724
N-(1,3-dimethoxypropan-2-yl)-3-methylaniline
CID 13275408
N,N-dimethyl-2-(3-methylanilino)propanamide
CID 43085843
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline
CID 114079472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The IUPAC name of 3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline (CID 43363069) is 3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline.
What is the SMILES notation for 3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The canonical SMILES for 3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline is Cc1cccc(NC(C)C2(C)CC2)c1.
What is the InChIKey of 3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The InChIKey is TUAOOQDJADQHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-5-4-6-12(9-10)14-11(2)13(3)7-8-13/h4-6,9,11,14H,7-8H2,1-3H3.
What are the key properties of 3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline?
3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline has a molecular weight of 189.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline is sourced from PubChem (CID 43363069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).