2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline

C17H22N2O — CID 115995121

IUPAC2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline
SMILESCCC(N)c1ccccc1N(C)c1cccc(OC)c1
InChIInChI=1S/C17H22N2O/c1-4-16(18)15-10-5-6-11-17(15)19(2)13-8-7-9-14(12-13)20-3/h5-12,16H,4,18H2,1-3H3
InChIKeyZONCRKXSGKJVCK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.87
Rot. Bonds5

About 2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline

2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline (PubChem CID 115995121) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline
PubChem CID115995121
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline
SMILESCCC(N)c1ccccc1N(C)c1cccc(OC)c1
InChIInChI=1S/C17H22N2O/c1-4-16(18)15-10-5-6-11-17(15)19(2)13-8-7-9-14(12-13)20-3/h5-12,16H,4,18H2,1-3H3
InChIKeyZONCRKXSGKJVCK-UHFFFAOYSA-N
XLogP3.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline
CID 112678084
2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline
CID 63817196
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 115994942
3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline
CID 103959354
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63785861
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
3-chloro-2-(chloromethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63567290
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
2-(1-aminopropyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 112678005

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline?
The IUPAC name of 2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline (CID 115995121) is 2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline is CCC(N)c1ccccc1N(C)c1cccc(OC)c1.
What is the InChIKey of 2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline?
The InChIKey is ZONCRKXSGKJVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-16(18)15-10-5-6-11-17(15)19(2)13-8-7-9-14(12-13)20-3/h5-12,16H,4,18H2,1-3H3.
What are the key properties of 2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline?
2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 115995121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).