2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine

C17H28N2O — CID 43830019

IUPAC2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
SMILESCCCC(N1CCCC1)C(C)(N)c1cccc(OC)c1
InChIInChI=1S/C17H28N2O/c1-4-8-16(19-11-5-6-12-19)17(2,18)14-9-7-10-15(13-14)20-3/h7,9-10,13,16H,4-6,8,11-12,18H2,1-3H3
InChIKeyHGABSFKSESTFFK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.13
Rot. Bonds6

About 2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine

2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine (PubChem CID 43830019) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
PubChem CID43830019
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
SMILESCCCC(N1CCCC1)C(C)(N)c1cccc(OC)c1
InChIInChI=1S/C17H28N2O/c1-4-8-16(19-11-5-6-12-19)17(2,18)14-9-7-10-15(13-14)20-3/h7,9-10,13,16H,4-6,8,11-12,18H2,1-3H3
InChIKeyHGABSFKSESTFFK-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine
CID 43829999
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43829876
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
CID 43829854
2-(3-methoxyphenyl)hexan-2-amine
CID 62620704
(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 102167719
2-(3-methoxyphenyl)-3-methylhexan-2-ol
CID 107892511
3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine
CID 43829684
2-(3-methoxyphenyl)-4-methylhexan-2-amine
CID 62622006
5-(azepan-1-yl)-4-phenyloct-1-en-4-amine
CID 43829671
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
1-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 82236080
2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
CID 19701549

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine?
The IUPAC name of 2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine (CID 43830019) is 2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine is CCCC(N1CCCC1)C(C)(N)c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine?
The InChIKey is HGABSFKSESTFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-8-16(19-11-5-6-12-19)17(2,18)14-9-7-10-15(13-14)20-3/h7,9-10,13,16H,4-6,8,11-12,18H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine?
2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine is sourced from PubChem (CID 43830019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).