N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C18H30N2O — CID 106603065

IUPACN-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)Oc1ccc(CN(CC2CCCN2)C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)20(13-17-6-5-11-19-17)12-16-7-9-18(10-8-16)21-15(3)4/h7-10,14-15,17,19H,5-6,11-13H2,1-4H3
InChIKeyDXIORSFZCRYLFK-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds7

About N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106603065) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106603065
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)Oc1ccc(CN(CC2CCCN2)C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)20(13-17-6-5-11-19-17)12-16-7-9-18(10-8-16)21-15(3)4/h7-10,14-15,17,19H,5-6,11-13H2,1-4H3
InChIKeyDXIORSFZCRYLFK-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964
N-[[3-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603247
N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602830
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603001
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106622609
N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603048
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106603065) is N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is CC(C)Oc1ccc(CN(CC2CCCN2)C(C)C)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is DXIORSFZCRYLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)20(13-17-6-5-11-19-17)12-16-7-9-18(10-8-16)21-15(3)4/h7-10,14-15,17,19H,5-6,11-13H2,1-4H3.
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106603065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).