(3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine

C19H26N4O — CID 129335431

IUPAC(3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
SMILESCCOc1ccccc1CN1CC[C@@H](N(C)Cc2ncccn2)C1
InChIInChI=1S/C19H26N4O/c1-3-24-18-8-5-4-7-16(18)13-23-12-9-17(14-23)22(2)15-19-20-10-6-11-21-19/h4-8,10-11,17H,3,9,12-15H2,1-2H3/t17-/m1/s1
InChIKeyIQFXCUVYHXYEBH-QGZVFWFLSA-N
MW326.44 g/mol
LogP2.58
Rot. Bonds7

About (3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine

(3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 129335431) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID129335431
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
SMILESCCOc1ccccc1CN1CC[C@@H](N(C)Cc2ncccn2)C1
InChIInChI=1S/C19H26N4O/c1-3-24-18-8-5-4-7-16(18)13-23-12-9-17(14-23)22(2)15-19-20-10-6-11-21-19/h4-8,10-11,17H,3,9,12-15H2,1-2H3/t17-/m1/s1
InChIKeyIQFXCUVYHXYEBH-QGZVFWFLSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77094318
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
1-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128967433
3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381460
(4R)-1-[(2-methoxyphenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129476025
2-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191346
4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891342
4-N-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172903250
[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114959752
4-bromo-N-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-2-ethyl-N-methylbenzenesulfonamide
CID 6735510
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine (CID 129335431) is (3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine is CCOc1ccccc1CN1CC[C@@H](N(C)Cc2ncccn2)C1.
What is the InChIKey of (3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is IQFXCUVYHXYEBH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-24-18-8-5-4-7-16(18)13-23-12-9-17(14-23)22(2)15-19-20-10-6-11-21-19/h4-8,10-11,17H,3,9,12-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
(3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 326.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 129335431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).