2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline

C17H28N2O — CID 63817012

IUPAC2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCC(N)Cc1ccccc1N(CC)CC1CCCO1
InChIInChI=1S/C17H28N2O/c1-3-15(18)12-14-8-5-6-10-17(14)19(4-2)13-16-9-7-11-20-16/h5-6,8,10,15-16H,3-4,7,9,11-13,18H2,1-2H3
InChIKeyGCDOLKQXQRWLPR-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.97
Rot. Bonds7

About 2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline

2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 63817012) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID63817012
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCC(N)Cc1ccccc1N(CC)CC1CCCO1
InChIInChI=1S/C17H28N2O/c1-3-15(18)12-14-8-5-6-10-17(14)19(4-2)13-16-9-7-11-20-16/h5-6,8,10,15-16H,3-4,7,9,11-13,18H2,1-2H3
InChIKeyGCDOLKQXQRWLPR-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
4-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817545
2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861241
2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine
CID 55174589
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
2-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133273815
4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline
CID 107932790
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761
4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565
2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
CID 63793613
1-N-ethyl-2-iodo-1-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 66094780

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline (CID 63817012) is 2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline is CCC(N)Cc1ccccc1N(CC)CC1CCCO1.
What is the InChIKey of 2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is GCDOLKQXQRWLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-15(18)12-14-8-5-6-10-17(14)19(4-2)13-16-9-7-11-20-16/h5-6,8,10,15-16H,3-4,7,9,11-13,18H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline?
2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 276.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 63817012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).