1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine

C16H26N2O — CID 112512787

IUPAC1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine
SMILESCCc1ccc(OC)c(CC(N)CN2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-3-13-6-7-16(19-2)14(10-13)11-15(17)12-18-8-4-5-9-18/h6-7,10,15H,3-5,8-9,11-12,17H2,1-2H3
InChIKeyUCGNADZXTBCCJW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds6

About 1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine

1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine (PubChem CID 112512787) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine
PubChem CID112512787
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine
SMILESCCc1ccc(OC)c(CC(N)CN2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-3-13-6-7-16(19-2)14(10-13)11-15(17)12-18-8-4-5-9-18/h6-7,10,15H,3-5,8-9,11-12,17H2,1-2H3
InChIKeyUCGNADZXTBCCJW-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
CID 83942714
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289895
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
2-[(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116931688
1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine
CID 135225295
1-[5-[2-(cyclopropylmethoxy)ethyl]-2-methoxyphenyl]butan-2-amine;hydrochloride
CID 170890268
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 61494131
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine (CID 112512787) is 1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine is CCc1ccc(OC)c(CC(N)CN2CCCC2)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is UCGNADZXTBCCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-13-6-7-16(19-2)14(10-13)11-15(17)12-18-8-4-5-9-18/h6-7,10,15H,3-5,8-9,11-12,17H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine?
1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 112512787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).