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

C16H25N — CID 104819457

IUPACN-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(CNC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C16H25N/c1-12-5-7-13(8-6-12)15(14-9-10-14)11-17-16(2,3)4/h5-8,14-15,17H,9-11H2,1-4H3
InChIKeyQQDZKPLUZPNYSC-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.88
Rot. Bonds4

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

N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 104819457) 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-2-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
PubChem CID104819457
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(CNC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C16H25N/c1-12-5-7-13(8-6-12)15(14-9-10-14)11-17-16(2,3)4/h5-8,14-15,17H,9-11H2,1-4H3
InChIKeyQQDZKPLUZPNYSC-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 113456690
N-[2-(1,1-dioxothiolan-3-yl)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 79430969
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 104819458
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 104819456
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine
CID 82936677
2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 82933613
N-[2-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 79431591
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
(2S)-N-tert-butyl-4-methyl-3-methylidene-2-(4-methylphenyl)pentan-1-amine
CID 121380481
1-cyclopropyl-2-[1-(4-methylphenyl)ethylamino]ethanol
CID 63294182
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine (CID 104819457) is N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine is Cc1ccc(C(CNC(C)(C)C)C2CC2)cc1.
What is the InChIKey of N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is QQDZKPLUZPNYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-5-7-13(8-6-12)15(14-9-10-14)11-17-16(2,3)4/h5-8,14-15,17H,9-11H2,1-4H3.
What are the key properties of N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine?
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.88, 4 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-2-amine is sourced from PubChem (CID 104819457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).