N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine

C26H31ClN2O2 — CID 54765849

IUPACN-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCOc1ccc2cc(C(CCN(C)Cc3ccccc3)N3CCOCC3)ccc2c1Cl
InChIInChI=1S/C26H31ClN2O2/c1-28(19-20-6-4-3-5-7-20)13-12-24(29-14-16-31-17-15-29)22-8-10-23-21(18-22)9-11-25(30-2)26(23)27/h3-11,18,24H,12-17,19H2,1-2H3
InChIKeyUBTISEJLHYNQTI-UHFFFAOYSA-N
MW439.00 g/mol
LogP5.40
Rot. Bonds8

About N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine

N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 54765849) has the molecular formula C26H31ClN2O2 and a molecular weight of 439.00 g/mol. Its IUPAC name is N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
PubChem CID54765849
Molecular FormulaC26H31ClN2O2
Molecular Weight439.00 g/mol
Exact Mass438.21
IUPAC NameN-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCOc1ccc2cc(C(CCN(C)Cc3ccccc3)N3CCOCC3)ccc2c1Cl
InChIInChI=1S/C26H31ClN2O2/c1-28(19-20-6-4-3-5-7-20)13-12-24(29-14-16-31-17-15-29)22-8-10-23-21(18-22)9-11-25(30-2)26(23)27/h3-11,18,24H,12-17,19H2,1-2H3
InChIKeyUBTISEJLHYNQTI-UHFFFAOYSA-N
XLogP5.40
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine (CID 54765849) is N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine is COc1ccc2cc(C(CCN(C)Cc3ccccc3)N3CCOCC3)ccc2c1Cl.
What is the InChIKey of N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is UBTISEJLHYNQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O2/c1-28(19-20-6-4-3-5-7-20)13-12-24(29-14-16-31-17-15-29)22-8-10-23-21(18-22)9-11-25(30-2)26(23)27/h3-11,18,24H,12-17,19H2,1-2H3.
What are the key properties of N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 439.00 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54765849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).