4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline

C16H26N2O — CID 63817388

IUPAC4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
SMILESCOCCN(c1ccc(CC(C)N)cc1C)C1CC1
InChIInChI=1S/C16H26N2O/c1-12-10-14(11-13(2)17)4-7-16(12)18(8-9-19-3)15-5-6-15/h4,7,10,13,15H,5-6,8-9,11,17H2,1-3H3
InChIKeyCAJJRVYKHVLFHW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds7

About 4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline

4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline (PubChem CID 63817388) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
PubChem CID63817388
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
SMILESCOCCN(c1ccc(CC(C)N)cc1C)C1CC1
InChIInChI=1S/C16H26N2O/c1-12-10-14(11-13(2)17)4-7-16(12)18(8-9-19-3)15-5-6-15/h4,7,10,13,15H,5-6,8-9,11,17H2,1-3H3
InChIKeyCAJJRVYKHVLFHW-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol
CID 55040023
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline
CID 62123829
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 55236420
4-(2-aminopropyl)-N-(4-ethylcyclohexyl)-N,2-dimethylaniline
CID 63816201
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314
[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]methanol
CID 114062339
4-(2-aminopropyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2-fluoroaniline
CID 64521103
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline
CID 63795379
1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 62909901
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 63735637

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline (CID 63817388) is 4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline is COCCN(c1ccc(CC(C)N)cc1C)C1CC1.
What is the InChIKey of 4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline?
The InChIKey is CAJJRVYKHVLFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-10-14(11-13(2)17)4-7-16(12)18(8-9-19-3)15-5-6-15/h4,7,10,13,15H,5-6,8-9,11,17H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline?
4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline has a molecular weight of 262.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline is sourced from PubChem (CID 63817388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).