2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

C17H30N2O2 — CID 63815111

IUPAC2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCCC(N)Cc1ccccc1N(CCCOC)CCOC
InChIInChI=1S/C17H30N2O2/c1-4-16(18)14-15-8-5-6-9-17(15)19(11-13-21-3)10-7-12-20-2/h5-6,8-9,16H,4,7,10-14,18H2,1-3H3
InChIKeyVBCVHZFLHIYODG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.46
Rot. Bonds11

About 2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (PubChem CID 63815111) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
PubChem CID63815111
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCCC(N)Cc1ccccc1N(CCCOC)CCOC
InChIInChI=1S/C17H30N2O2/c1-4-16(18)14-15-8-5-6-9-17(15)19(11-13-21-3)10-7-12-20-2/h5-6,8-9,16H,4,7,10-14,18H2,1-3H3
InChIKeyVBCVHZFLHIYODG-UHFFFAOYSA-N
XLogP2.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236804
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459
2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 63816723
2-(2-aminopropyl)-N,N-dibutylaniline
CID 63786767
N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
CID 63816863
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236806
2-(1-aminopropyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 112678005
4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 55236025

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (CID 63815111) is 2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is CCC(N)Cc1ccccc1N(CCCOC)CCOC.
What is the InChIKey of 2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The InChIKey is VBCVHZFLHIYODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-16(18)14-15-8-5-6-9-17(15)19(11-13-21-3)10-7-12-20-2/h5-6,8-9,16H,4,7,10-14,18H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline has a molecular weight of 294.44 g/mol, XLogP of 2.46, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is sourced from PubChem (CID 63815111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).