4-[1-(dimethylamino)propan-2-yl]aniline

C11H18N2 — CID 115015271

IUPAC4-[1-(dimethylamino)propan-2-yl]aniline
SMILESCC(CN(C)C)c1ccc(N)cc1
InChIInChI=1S/C11H18N2/c1-9(8-13(2)3)10-4-6-11(12)7-5-10/h4-7,9H,8,12H2,1-3H3
InChIKeyHJVBMABUUCMPJK-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.93
Rot. Bonds3

About 4-[1-(dimethylamino)propan-2-yl]aniline

4-[1-(dimethylamino)propan-2-yl]aniline (PubChem CID 115015271) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-yl]aniline
PubChem CID115015271
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-[1-(dimethylamino)propan-2-yl]aniline
SMILESCC(CN(C)C)c1ccc(N)cc1
InChIInChI=1S/C11H18N2/c1-9(8-13(2)3)10-4-6-11(12)7-5-10/h4-7,9H,8,12H2,1-3H3
InChIKeyHJVBMABUUCMPJK-UHFFFAOYSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(4-methylphenyl)propan-1-amine
CID 143373779
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
(2R)-N,N-dimethyl-2-(4-phenylphenyl)propan-1-amine
CID 97356699
4-[1-[ethyl(propyl)amino]propan-2-yl]aniline
CID 57120163
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
3-(4-aminophenyl)butanal
CID 143206837
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170020811
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
CID 104502633

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-yl]aniline?
The IUPAC name of 4-[1-(dimethylamino)propan-2-yl]aniline (CID 115015271) is 4-[1-(dimethylamino)propan-2-yl]aniline.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-yl]aniline?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-yl]aniline is CC(CN(C)C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-yl]aniline?
The InChIKey is HJVBMABUUCMPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(8-13(2)3)10-4-6-11(12)7-5-10/h4-7,9H,8,12H2,1-3H3.
What are the key properties of 4-[1-(dimethylamino)propan-2-yl]aniline?
4-[1-(dimethylamino)propan-2-yl]aniline has a molecular weight of 178.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propan-2-yl]aniline is sourced from PubChem (CID 115015271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).