[2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine

C16H26N2 — CID 81322590

IUPAC[2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine
SMILESCC(C)C1CCCN1CCc1ccccc1CN
InChIInChI=1S/C16H26N2/c1-13(2)16-8-5-10-18(16)11-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,13,16H,5,8-12,17H2,1-2H3
InChIKeyQYIPTYQFMSECHZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.81
Rot. Bonds5

About [2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine

[2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine (PubChem CID 81322590) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine
PubChem CID81322590
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine
SMILESCC(C)C1CCCN1CCc1ccccc1CN
InChIInChI=1S/C16H26N2/c1-13(2)16-8-5-10-18(16)11-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,13,16H,5,8-12,17H2,1-2H3
InChIKeyQYIPTYQFMSECHZ-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
[2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine
CID 81322429
[2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine
CID 81314851
2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465534
[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
CID 106587342
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349
3-(2-propan-2-ylpiperidin-1-yl)propyl benzoate;hydrochloride
CID 138401152
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
CID 81322503
1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
CID 163278091

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine?
The IUPAC name of [2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine (CID 81322590) is [2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine is CC(C)C1CCCN1CCc1ccccc1CN.
What is the InChIKey of [2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine?
The InChIKey is QYIPTYQFMSECHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)16-8-5-10-18(16)11-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,13,16H,5,8-12,17H2,1-2H3.
What are the key properties of [2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine?
[2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 81322590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).