N-methyl-3-propan-2-ylaniline

C10H15N — CID 14274194

IUPACN-methyl-3-propan-2-ylaniline
SMILESCNc1cccc(C(C)C)c1
InChIInChI=1S/C10H15N/c1-8(2)9-5-4-6-10(7-9)11-3/h4-8,11H,1-3H3
InChIKeySEIVPRPKTCSIQM-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.85
Rot. Bonds2

About N-methyl-3-propan-2-ylaniline

N-methyl-3-propan-2-ylaniline (PubChem CID 14274194) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-methyl-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-methyl-3-propan-2-ylaniline
PubChem CID14274194
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-methyl-3-propan-2-ylaniline
SMILESCNc1cccc(C(C)C)c1
InChIInChI=1S/C10H15N/c1-8(2)9-5-4-6-10(7-9)11-3/h4-8,11H,1-3H3
InChIKeySEIVPRPKTCSIQM-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-ylaniline?
The IUPAC name of N-methyl-3-propan-2-ylaniline (CID 14274194) is N-methyl-3-propan-2-ylaniline.
What is the SMILES notation for N-methyl-3-propan-2-ylaniline?
The canonical SMILES for N-methyl-3-propan-2-ylaniline is CNc1cccc(C(C)C)c1.
What is the InChIKey of N-methyl-3-propan-2-ylaniline?
The InChIKey is SEIVPRPKTCSIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)9-5-4-6-10(7-9)11-3/h4-8,11H,1-3H3.
What are the key properties of N-methyl-3-propan-2-ylaniline?
N-methyl-3-propan-2-ylaniline has a molecular weight of 149.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-ylaniline is sourced from PubChem (CID 14274194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).