N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine

C16H25N — CID 104819456

IUPACN-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCc1ccc(C(CNCC(C)C)C2CC2)cc1
InChIInChI=1S/C16H25N/c1-12(2)10-17-11-16(15-8-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyYVAVKWOTTDCHIO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.73
Rot. Bonds6

About N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine

N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 104819456) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine
PubChem CID104819456
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCc1ccc(C(CNCC(C)C)C2CC2)cc1
InChIInChI=1S/C16H25N/c1-12(2)10-17-11-16(15-8-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyYVAVKWOTTDCHIO-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine (CID 104819456) is N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine is Cc1ccc(C(CNCC(C)C)C2CC2)cc1.
What is the InChIKey of N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is YVAVKWOTTDCHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)10-17-11-16(15-8-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-17H,8-11H2,1-3H3.
What are the key properties of N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine?
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104819456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).