N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C18H30N2O — CID 106602830

IUPACN-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCCCOc1cccc(CN(CC2CCCN2)C(C)C)c1
InChIInChI=1S/C18H30N2O/c1-4-11-21-18-9-5-7-16(12-18)13-20(15(2)3)14-17-8-6-10-19-17/h5,7,9,12,15,17,19H,4,6,8,10-11,13-14H2,1-3H3
InChIKeyHWDGXSTYHYBEOX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds8

About N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106602830) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106602830
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCCCOc1cccc(CN(CC2CCCN2)C(C)C)c1
InChIInChI=1S/C18H30N2O/c1-4-11-21-18-9-5-7-16(12-18)13-20(15(2)3)14-17-8-6-10-19-17/h5,7,9,12,15,17,19H,4,6,8,10-11,13-14H2,1-3H3
InChIKeyHWDGXSTYHYBEOX-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606438
N-[[3-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603247
3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614336
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine
CID 79707512
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604112

Frequently Asked Questions

What is the IUPAC name of N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106602830) is N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is CCCOc1cccc(CN(CC2CCCN2)C(C)C)c1.
What is the InChIKey of N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is HWDGXSTYHYBEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-11-21-18-9-5-7-16(12-18)13-20(15(2)3)14-17-8-6-10-19-17/h5,7,9,12,15,17,19H,4,6,8,10-11,13-14H2,1-3H3.
What are the key properties of N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106602830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).