2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline

C18H24N2 — CID 82541905

IUPAC2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline
SMILESCC(N)CCc1cccc(-c2ccccc2N(C)C)c1
InChIInChI=1S/C18H24N2/c1-14(19)11-12-15-7-6-8-16(13-15)17-9-4-5-10-18(17)20(2)3/h4-10,13-14H,11-12,19H2,1-3H3
InChIKeyKUPQFAIVTNFOHY-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.70
Rot. Bonds5

About 2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline

2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline (PubChem CID 82541905) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline
PubChem CID82541905
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline
SMILESCC(N)CCc1cccc(-c2ccccc2N(C)C)c1
InChIInChI=1S/C18H24N2/c1-14(19)11-12-15-7-6-8-16(13-15)17-9-4-5-10-18(17)20(2)3/h4-10,13-14H,11-12,19H2,1-3H3
InChIKeyKUPQFAIVTNFOHY-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline?
The IUPAC name of 2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline (CID 82541905) is 2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline is CC(N)CCc1cccc(-c2ccccc2N(C)C)c1.
What is the InChIKey of 2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline?
The InChIKey is KUPQFAIVTNFOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(19)11-12-15-7-6-8-16(13-15)17-9-4-5-10-18(17)20(2)3/h4-10,13-14H,11-12,19H2,1-3H3.
What are the key properties of 2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline?
2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline has a molecular weight of 268.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 82541905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).