N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

C18H30N2 — CID 62439339

IUPACN-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN1Cc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H30N2/c1-5-17-7-6-12-20(17)14-16-10-8-15(9-11-16)13-19-18(2,3)4/h8-11,17,19H,5-7,12-14H2,1-4H3
InChIKeyKSNJJCITFDRWFK-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.95
Rot. Bonds5

About N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62439339) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62439339
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN1Cc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H30N2/c1-5-17-7-6-12-20(17)14-16-10-8-15(9-11-16)13-19-18(2,3)4/h8-11,17,19H,5-7,12-14H2,1-4H3
InChIKeyKSNJJCITFDRWFK-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768682
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107555469
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 83220620
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
2-methyl-N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 63528363
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62580916
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
3-[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969684
[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63059898
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970475

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 62439339) is N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is CCC1CCCN1Cc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is KSNJJCITFDRWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-17-7-6-12-20(17)14-16-10-8-15(9-11-16)13-19-18(2,3)4/h8-11,17,19H,5-7,12-14H2,1-4H3.
What are the key properties of N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62439339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).