1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine

C18H29ClN2 — CID 83220497

IUPAC1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine
SMILESCCNC(CCN1C(C)CCC1CC)c1ccccc1Cl
InChIInChI=1S/C18H29ClN2/c1-4-15-11-10-14(3)21(15)13-12-18(20-5-2)16-8-6-7-9-17(16)19/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3
InChIKeyKIMBOVJNYKZTFO-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.64
Rot. Bonds7

About 1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine

1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine (PubChem CID 83220497) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine
PubChem CID83220497
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine
SMILESCCNC(CCN1C(C)CCC1CC)c1ccccc1Cl
InChIInChI=1S/C18H29ClN2/c1-4-15-11-10-14(3)21(15)13-12-18(20-5-2)16-8-6-7-9-17(16)19/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3
InChIKeyKIMBOVJNYKZTFO-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine
CID 83220381
1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
CID 114682044
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83222009
3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 83221213
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 83221696
1-(2-chlorophenyl)-N-ethyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62643356
1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol
CID 83221627
1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495351
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 83219322
3-chloro-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenol
CID 83224793
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63493793
1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635659

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine (CID 83220497) is 1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine is CCNC(CCN1C(C)CCC1CC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is KIMBOVJNYKZTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-15-11-10-14(3)21(15)13-12-18(20-5-2)16-8-6-7-9-17(16)19/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine?
1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 83220497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).