N-Isopropylaniline

C9H13N — CID 13032

IUPACN-propan-2-ylaniline
SMILESCC(C)NC1=CC=CC=C1
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
LogP2.50
Rot. Bonds2

About N-Isopropylaniline

N-Isopropylaniline (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-Isopropylaniline
PubChem CID13032
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-propan-2-ylaniline
SMILESCC(C)NC1=CC=CC=C1
InChIInChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyFRCFWPVMFJMNDP-UHFFFAOYSA-N
XLogP2.50
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity82

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.50
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-Isopropylaniline?
The IUPAC name of N-Isopropylaniline (CID 13032) is N-propan-2-ylaniline.
What is the SMILES notation for N-Isopropylaniline?
The canonical SMILES for N-Isopropylaniline is CC(C)NC1=CC=CC=C1.
What is the InChIKey of N-Isopropylaniline?
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-Isopropylaniline?
N-Isopropylaniline has a molecular weight of 135.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-Isopropylaniline is sourced from PubChem (CID 13032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).