4-[[methyl(propyl)amino]methyl]aniline

C11H18N2 — CID 23506800

IUPAC4-[[methyl(propyl)amino]methyl]aniline
SMILESCCCN(C)Cc1ccc(N)cc1
InChIInChI=1S/C11H18N2/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h4-7H,3,8-9,12H2,1-2H3
InChIKeyLNNVDJYHQDDGSD-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.11
Rot. Bonds4

About 4-[[methyl(propyl)amino]methyl]aniline

4-[[methyl(propyl)amino]methyl]aniline (PubChem CID 23506800) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-[[methyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[methyl(propyl)amino]methyl]aniline
PubChem CID23506800
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-[[methyl(propyl)amino]methyl]aniline
SMILESCCCN(C)Cc1ccc(N)cc1
InChIInChI=1S/C11H18N2/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h4-7H,3,8-9,12H2,1-2H3
InChIKeyLNNVDJYHQDDGSD-UHFFFAOYSA-N
XLogP2.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
4-[[methyl(propyl)amino]methyl]benzenecarbothioamide
CID 43271278
1-amino-4-[[propyl(sulfamoyl)amino]methyl]benzene
CID 114958655
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(propyl)amino]methyl]aniline?
The IUPAC name of 4-[[methyl(propyl)amino]methyl]aniline (CID 23506800) is 4-[[methyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[methyl(propyl)amino]methyl]aniline?
The canonical SMILES for 4-[[methyl(propyl)amino]methyl]aniline is CCCN(C)Cc1ccc(N)cc1.
What is the InChIKey of 4-[[methyl(propyl)amino]methyl]aniline?
The InChIKey is LNNVDJYHQDDGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h4-7H,3,8-9,12H2,1-2H3.
What are the key properties of 4-[[methyl(propyl)amino]methyl]aniline?
4-[[methyl(propyl)amino]methyl]aniline has a molecular weight of 178.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 23506800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).