4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine

C17H28N2O — CID 106602440

IUPAC4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
SMILESCOc1ccc(CCC(C)N(C)CC2CCCN2)cc1
InChIInChI=1S/C17H28N2O/c1-14(19(2)13-16-5-4-12-18-16)6-7-15-8-10-17(20-3)11-9-15/h8-11,14,16,18H,4-7,12-13H2,1-3H3
InChIKeyJQEAIOWUZVEDKI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.70
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine

4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine (PubChem CID 106602440) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
PubChem CID106602440
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
SMILESCOc1ccc(CCC(C)N(C)CC2CCCN2)cc1
InChIInChI=1S/C17H28N2O/c1-14(19(2)13-16-5-4-12-18-16)6-7-15-8-10-17(20-3)11-9-15/h8-11,14,16,18H,4-7,12-13H2,1-3H3
InChIKeyJQEAIOWUZVEDKI-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602392
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622859
N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599038
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119704713
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine (CID 106602440) is 4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine is COc1ccc(CCC(C)N(C)CC2CCCN2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The InChIKey is JQEAIOWUZVEDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(19(2)13-16-5-4-12-18-16)6-7-15-8-10-17(20-3)11-9-15/h8-11,14,16,18H,4-7,12-13H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 106602440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).