N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine

C13H21N — CID 21365305

IUPACN,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(C)(C)CN(C)C
InChIInChI=1S/C13H21N/c1-11-8-6-7-9-12(11)13(2,3)10-14(4)5/h6-9H,10H2,1-5H3
InChIKeyGYQFFZDOCDBMQM-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.83
Rot. Bonds3

About N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine

N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine (PubChem CID 21365305) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine
PubChem CID21365305
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(C)(C)CN(C)C
InChIInChI=1S/C13H21N/c1-11-8-6-7-9-12(11)13(2,3)10-14(4)5/h6-9H,10H2,1-5H3
InChIKeyGYQFFZDOCDBMQM-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine (CID 21365305) is N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine is Cc1ccccc1C(C)(C)CN(C)C.
What is the InChIKey of N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine?
The InChIKey is GYQFFZDOCDBMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-11-8-6-7-9-12(11)13(2,3)10-14(4)5/h6-9H,10H2,1-5H3.
What are the key properties of N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine?
N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 21365305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).