N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

C19H32N2 — CID 83220031

IUPACN-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(C)N1Cc1ccccc1CNC(C)(C)C
InChIInChI=1S/C19H32N2/c1-6-18-12-11-15(2)21(18)14-17-10-8-7-9-16(17)13-20-19(3,4)5/h7-10,15,18,20H,6,11-14H2,1-5H3
InChIKeyVAOQRQXXSPFYPQ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.34
Rot. Bonds5

About N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 83220031) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID83220031
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(C)N1Cc1ccccc1CNC(C)(C)C
InChIInChI=1S/C19H32N2/c1-6-18-12-11-15(2)21(18)14-17-10-8-7-9-16(17)13-20-19(3,4)5/h7-10,15,18,20H,6,11-14H2,1-5H3
InChIKeyVAOQRQXXSPFYPQ-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 83220620
2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 83218867
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline
CID 83227586
3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 83221609
N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62432875
N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 83227887
N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62413529
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 83220695
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 83221641
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 83221719
1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
CID 83220677

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 83220031) is N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is CCC1CCC(C)N1Cc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VAOQRQXXSPFYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-18-12-11-15(2)21(18)14-17-10-8-7-9-16(17)13-20-19(3,4)5/h7-10,15,18,20H,6,11-14H2,1-5H3.
What are the key properties of N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 83220031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).