4-(aminomethyl)-N-(2-methoxypropyl)aniline

C11H18N2O — CID 102694583

IUPAC4-(aminomethyl)-N-(2-methoxypropyl)aniline
SMILESCOC(C)CNc1ccc(CN)cc1
InChIInChI=1S/C11H18N2O/c1-9(14-2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyYCHGZSJQYATFLR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.59
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxypropyl)aniline

4-(aminomethyl)-N-(2-methoxypropyl)aniline (PubChem CID 102694583) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxypropyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxypropyl)aniline
PubChem CID102694583
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(aminomethyl)-N-(2-methoxypropyl)aniline
SMILESCOC(C)CNc1ccc(CN)cc1
InChIInChI=1S/C11H18N2O/c1-9(14-2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyYCHGZSJQYATFLR-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-methylpropyl)aniline
CID 83962134
N-(2-methoxypropyl)-4-methylaniline
CID 102551518
5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
CID 102694575
4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline
CID 102694579
4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
CID 102694501
4-(aminomethyl)-N-propan-2-ylaniline
CID 62103624
N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
CID 102699032
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
3-iodo-N-(2-methoxypropyl)-4-methylaniline
CID 126975577
4-(2-methoxypropylamino)benzene-1,2-dicarbonitrile
CID 107789366
4-(aminomethyl)-N-(2-methoxypropyl)pyridazin-3-amine
CID 102694551
3-N-(2-methoxypropyl)pyridazine-3,6-diamine
CID 102701751

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)aniline (CID 102694583) is 4-(aminomethyl)-N-(2-methoxypropyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxypropyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxypropyl)aniline is COC(C)CNc1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxypropyl)aniline?
The InChIKey is YCHGZSJQYATFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(14-2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxypropyl)aniline?
4-(aminomethyl)-N-(2-methoxypropyl)aniline has a molecular weight of 194.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxypropyl)aniline is sourced from PubChem (CID 102694583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).