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

C20H27ClN2O2 — CID 89437322

IUPAC3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine
SMILESCOc1ccc2cc(C(CCN(C)C)C3CNCCO3)ccc2c1Cl
InChIInChI=1S/C20H27ClN2O2/c1-23(2)10-8-16(19-13-22-9-11-25-19)14-4-6-17-15(12-14)5-7-18(24-3)20(17)21/h4-7,12,16,19,22H,8-11,13H2,1-3H3
InChIKeyVPLTZCSONYKKSJ-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.53
Rot. Bonds6

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

3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine (PubChem CID 89437322) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine
PubChem CID89437322
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine
SMILESCOc1ccc2cc(C(CCN(C)C)C3CNCCO3)ccc2c1Cl
InChIInChI=1S/C20H27ClN2O2/c1-23(2)10-8-16(19-13-22-9-11-25-19)14-4-6-17-15(12-14)5-7-18(24-3)20(17)21/h4-7,12,16,19,22H,8-11,13H2,1-3H3
InChIKeyVPLTZCSONYKKSJ-UHFFFAOYSA-N
XLogP3.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine?
The IUPAC name of 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine (CID 89437322) is 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine is COc1ccc2cc(C(CCN(C)C)C3CNCCO3)ccc2c1Cl.
What is the InChIKey of 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine?
The InChIKey is VPLTZCSONYKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-23(2)10-8-16(19-13-22-9-11-25-19)14-4-6-17-15(12-14)5-7-18(24-3)20(17)21/h4-7,12,16,19,22H,8-11,13H2,1-3H3.
What are the key properties of 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine?
3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine has a molecular weight of 362.90 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine is sourced from PubChem (CID 89437322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).