4-(aminomethyl)-N-propylaniline

C10H16N2 — CID 57087702

IUPAC4-(aminomethyl)-N-propylaniline
SMILESCCCNc1ccc(CN)cc1
InChIInChI=1S/C10H16N2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,12H,2,7-8,11H2,1H3
InChIKeySQFBJLJLNYEIJL-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.97
Rot. Bonds4

About 4-(aminomethyl)-N-propylaniline

4-(aminomethyl)-N-propylaniline (PubChem CID 57087702) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-propylaniline
PubChem CID57087702
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(aminomethyl)-N-propylaniline
SMILESCCCNc1ccc(CN)cc1
InChIInChI=1S/C10H16N2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,12H,2,7-8,11H2,1H3
InChIKeySQFBJLJLNYEIJL-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-N-propylaniline (CID 57087702) is 4-(aminomethyl)-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-N-propylaniline is CCCNc1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-propylaniline?
The InChIKey is SQFBJLJLNYEIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,12H,2,7-8,11H2,1H3.
What are the key properties of 4-(aminomethyl)-N-propylaniline?
4-(aminomethyl)-N-propylaniline has a molecular weight of 164.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-propylaniline is sourced from PubChem (CID 57087702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).