4-(aminomethyl)-3-methyl-N-propylaniline

C11H18N2 — CID 81273118

IUPAC4-(aminomethyl)-3-methyl-N-propylaniline
SMILESCCCNc1ccc(CN)c(C)c1
InChIInChI=1S/C11H18N2/c1-3-6-13-11-5-4-10(8-12)9(2)7-11/h4-5,7,13H,3,6,8,12H2,1-2H3
InChIKeyKDDBLEHWWUKYEE-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds4

About 4-(aminomethyl)-3-methyl-N-propylaniline

4-(aminomethyl)-3-methyl-N-propylaniline (PubChem CID 81273118) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methyl-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-methyl-N-propylaniline
PubChem CID81273118
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(aminomethyl)-3-methyl-N-propylaniline
SMILESCCCNc1ccc(CN)c(C)c1
InChIInChI=1S/C11H18N2/c1-3-6-13-11-5-4-10(8-12)9(2)7-11/h4-5,7,13H,3,6,8,12H2,1-2H3
InChIKeyKDDBLEHWWUKYEE-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline
CID 57048374
5-(aminomethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545289
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
2-(4-ethyl-3-methylanilino)-N-propylacetamide
CID 113346217
(2-methyl-4-propylphenyl)methanamine
CID 86664509
2-[4-(aminomethyl)-3-methylanilino]propan-1-ol
CID 81273349
3-(4-amino-3-methylanilino)propyl-methyl-propylazanium;2-methyl-4-N-propylbenzene-1,4-diamine
CID 144516192
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
N-heptyl-3,4-dimethylaniline
CID 43129292
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide
CID 82504711
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methyl-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-3-methyl-N-propylaniline (CID 81273118) is 4-(aminomethyl)-3-methyl-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-methyl-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-3-methyl-N-propylaniline is CCCNc1ccc(CN)c(C)c1.
What is the InChIKey of 4-(aminomethyl)-3-methyl-N-propylaniline?
The InChIKey is KDDBLEHWWUKYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-6-13-11-5-4-10(8-12)9(2)7-11/h4-5,7,13H,3,6,8,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-methyl-N-propylaniline?
4-(aminomethyl)-3-methyl-N-propylaniline has a molecular weight of 178.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methyl-N-propylaniline is sourced from PubChem (CID 81273118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).