3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine

C18H30N2O — CID 79057103

IUPAC3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(CC)(C(N)Cc1cccc(OC)c1)N1CCCC1
InChIInChI=1S/C18H30N2O/c1-4-18(5-2,20-11-6-7-12-20)17(19)14-15-9-8-10-16(13-15)21-3/h8-10,13,17H,4-7,11-12,14,19H2,1-3H3
InChIKeyHNKGKVHIWHIFRQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.22
Rot. Bonds7

About 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine

3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 79057103) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID79057103
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(CC)(C(N)Cc1cccc(OC)c1)N1CCCC1
InChIInChI=1S/C18H30N2O/c1-4-18(5-2,20-11-6-7-12-20)17(19)14-15-9-8-10-16(13-15)21-3/h8-10,13,17H,4-7,11-12,14,19H2,1-3H3
InChIKeyHNKGKVHIWHIFRQ-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 116726216
ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate
CID 10934376
3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82087126
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79067191
N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine
CID 155178982
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine (CID 79057103) is 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine is CCC(CC)(C(N)Cc1cccc(OC)c1)N1CCCC1.
What is the InChIKey of 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is HNKGKVHIWHIFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-18(5-2,20-11-6-7-12-20)17(19)14-15-9-8-10-16(13-15)21-3/h8-10,13,17H,4-7,11-12,14,19H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine?
3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 79057103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).