N-propan-2-ylaniline

C9H13N — CID 13032

IUPACN-propan-2-ylaniline
SMILESCC(C)Nc1ccccc1
InChIInChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyFRCFWPVMFJMNDP-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.51
Rot. Bonds2

About N-propan-2-ylaniline

N-propan-2-ylaniline (PubChem CID 13032) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-propan-2-ylaniline.

Molecular Properties

Compound NameN-propan-2-ylaniline
PubChem CID13032
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-propan-2-ylaniline
SMILESCC(C)Nc1ccccc1
InChIInChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyFRCFWPVMFJMNDP-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acetanilide
CID 904
Diphenylamine
CID 11487
N,N-Dimethylaniline
CID 949
N-Phenyl-p-phenylenediamine
CID 7564
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Methylaniline
CID 7515
Formanilide
CID 7671
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylaniline?
The IUPAC name of N-propan-2-ylaniline (CID 13032) is N-propan-2-ylaniline.
What is the SMILES notation for N-propan-2-ylaniline?
The canonical SMILES for N-propan-2-ylaniline is CC(C)Nc1ccccc1.
What is the InChIKey of N-propan-2-ylaniline?
The InChIKey is FRCFWPVMFJMNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3.
What are the key properties of N-propan-2-ylaniline?
N-propan-2-ylaniline has a molecular weight of 135.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylaniline is sourced from PubChem (CID 13032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).