3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine

C20H27ClN2O — CID 54767906

IUPAC3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOc1ccc2cc(C(CCN(C)C)N3CCCC3)ccc2c1Cl
InChIInChI=1S/C20H27ClN2O/c1-22(2)13-10-18(23-11-4-5-12-23)16-6-8-17-15(14-16)7-9-19(24-3)20(17)21/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyNTSASDUHAQEZEA-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.59
Rot. Bonds6

About 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine

3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 54767906) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID54767906
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOc1ccc2cc(C(CCN(C)C)N3CCCC3)ccc2c1Cl
InChIInChI=1S/C20H27ClN2O/c1-22(2)13-10-18(23-11-4-5-12-23)16-6-8-17-15(14-16)7-9-19(24-3)20(17)21/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyNTSASDUHAQEZEA-UHFFFAOYSA-N
XLogP4.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine (CID 54767906) is 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine is COc1ccc2cc(C(CCN(C)C)N3CCCC3)ccc2c1Cl.
What is the InChIKey of 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is NTSASDUHAQEZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c1-22(2)13-10-18(23-11-4-5-12-23)16-6-8-17-15(14-16)7-9-19(24-3)20(17)21/h6-9,14,18H,4-5,10-13H2,1-3H3.
What are the key properties of 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 346.90 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 54767906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).