4-[(1-methoxypropan-2-ylamino)methyl]aniline

C11H18N2O — CID 82670046

IUPAC4-[(1-methoxypropan-2-ylamino)methyl]aniline
SMILESCOCC(C)NCc1ccc(N)cc1
InChIInChI=1S/C11H18N2O/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyKIOGFGGAVKYMAR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.39
Rot. Bonds5

About 4-[(1-methoxypropan-2-ylamino)methyl]aniline

4-[(1-methoxypropan-2-ylamino)methyl]aniline (PubChem CID 82670046) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-[(1-methoxypropan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name4-[(1-methoxypropan-2-ylamino)methyl]aniline
PubChem CID82670046
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-[(1-methoxypropan-2-ylamino)methyl]aniline
SMILESCOCC(C)NCc1ccc(N)cc1
InChIInChI=1S/C11H18N2O/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyKIOGFGGAVKYMAR-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 3126332
(2R)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781284
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739
(2S)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781285
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
CID 53314010
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 781010
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 781281
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane
CID 142218132
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 775205
2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol
CID 103602773

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxypropan-2-ylamino)methyl]aniline?
The IUPAC name of 4-[(1-methoxypropan-2-ylamino)methyl]aniline (CID 82670046) is 4-[(1-methoxypropan-2-ylamino)methyl]aniline.
What is the SMILES notation for 4-[(1-methoxypropan-2-ylamino)methyl]aniline?
The canonical SMILES for 4-[(1-methoxypropan-2-ylamino)methyl]aniline is COCC(C)NCc1ccc(N)cc1.
What is the InChIKey of 4-[(1-methoxypropan-2-ylamino)methyl]aniline?
The InChIKey is KIOGFGGAVKYMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of 4-[(1-methoxypropan-2-ylamino)methyl]aniline?
4-[(1-methoxypropan-2-ylamino)methyl]aniline has a molecular weight of 194.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxypropan-2-ylamino)methyl]aniline is sourced from PubChem (CID 82670046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).