2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline

C18H24N2O — CID 115994942

IUPAC2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
SMILESCCC(N)c1ccccc1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H24N2O/c1-4-17(19)16-7-5-6-8-18(16)20(2)13-14-9-11-15(21-3)12-10-14/h5-12,17H,4,13,19H2,1-3H3
InChIKeyZNOZIRSKTMAULZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.74
Rot. Bonds6

About 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline

2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline (PubChem CID 115994942) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
PubChem CID115994942
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
SMILESCCC(N)c1ccccc1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H24N2O/c1-4-17(19)16-7-5-6-8-18(16)20(2)13-14-9-11-15(21-3)12-10-14/h5-12,17H,4,13,19H2,1-3H3
InChIKeyZNOZIRSKTMAULZ-UHFFFAOYSA-N
XLogP3.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 103958489
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 115995121
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 60879589
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 78932859
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959837
2-(1-aminoethyl)-4-bromo-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 82956592
1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one
CID 115994566
2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868604
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103958767

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline?
The IUPAC name of 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline (CID 115994942) is 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline is CCC(N)c1ccccc1N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline?
The InChIKey is ZNOZIRSKTMAULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-17(19)16-7-5-6-8-18(16)20(2)13-14-9-11-15(21-3)12-10-14/h5-12,17H,4,13,19H2,1-3H3.
What are the key properties of 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline?
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline has a molecular weight of 284.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 115994942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).