2-(2,3-dipropylphenyl)aniline

C18H23N — CID 150874866

IUPAC2-(2,3-dipropylphenyl)aniline
SMILESCCCc1cccc(-c2ccccc2N)c1CCC
InChIInChI=1S/C18H23N/c1-3-8-14-10-7-12-16(15(14)9-4-2)17-11-5-6-13-18(17)19/h5-7,10-13H,3-4,8-9,19H2,1-2H3
InChIKeyKUUDEMPVBVJEHK-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.84
Rot. Bonds5

About 2-(2,3-dipropylphenyl)aniline

2-(2,3-dipropylphenyl)aniline (PubChem CID 150874866) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2,3-dipropylphenyl)aniline.

Molecular Properties

Compound Name2-(2,3-dipropylphenyl)aniline
PubChem CID150874866
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-(2,3-dipropylphenyl)aniline
SMILESCCCc1cccc(-c2ccccc2N)c1CCC
InChIInChI=1S/C18H23N/c1-3-8-14-10-7-12-16(15(14)9-4-2)17-11-5-6-13-18(17)19/h5-7,10-13H,3-4,8-9,19H2,1-2H3
InChIKeyKUUDEMPVBVJEHK-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dipropylphenyl)aniline?
The IUPAC name of 2-(2,3-dipropylphenyl)aniline (CID 150874866) is 2-(2,3-dipropylphenyl)aniline.
What is the SMILES notation for 2-(2,3-dipropylphenyl)aniline?
The canonical SMILES for 2-(2,3-dipropylphenyl)aniline is CCCc1cccc(-c2ccccc2N)c1CCC.
What is the InChIKey of 2-(2,3-dipropylphenyl)aniline?
The InChIKey is KUUDEMPVBVJEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-3-8-14-10-7-12-16(15(14)9-4-2)17-11-5-6-13-18(17)19/h5-7,10-13H,3-4,8-9,19H2,1-2H3.
What are the key properties of 2-(2,3-dipropylphenyl)aniline?
2-(2,3-dipropylphenyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dipropylphenyl)aniline is sourced from PubChem (CID 150874866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).