2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline

C17H30N2O — CID 63816723

IUPAC2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(CCOC)c1ccccc1CC(C)N
InChIInChI=1S/C17H30N2O/c1-5-16(6-2)19(11-12-20-4)17-10-8-7-9-15(17)13-14(3)18/h7-10,14,16H,5-6,11-13,18H2,1-4H3
InChIKeyMANRNUMRBUMLPI-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.22
Rot. Bonds9

About 2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline

2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline (PubChem CID 63816723) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
PubChem CID63816723
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(CCOC)c1ccccc1CC(C)N
InChIInChI=1S/C17H30N2O/c1-5-16(6-2)19(11-12-20-4)17-10-8-7-9-15(17)13-14(3)18/h7-10,14,16H,5-6,11-13,18H2,1-4H3
InChIKeyMANRNUMRBUMLPI-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 55004666
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63815654
2-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236804
1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
CID 114041232
N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55004588
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63815111
2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 103959097
2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 112678052
2-(2-aminopropyl)-N,N-dibutylaniline
CID 63786767
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine
CID 55004103

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline?
The IUPAC name of 2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline (CID 63816723) is 2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline?
The canonical SMILES for 2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline is CCC(CC)N(CCOC)c1ccccc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline?
The InChIKey is MANRNUMRBUMLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-16(6-2)19(11-12-20-4)17-10-8-7-9-15(17)13-14(3)18/h7-10,14,16H,5-6,11-13,18H2,1-4H3.
What are the key properties of 2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline?
2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline has a molecular weight of 278.44 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline is sourced from PubChem (CID 63816723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).