N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride

C24H29ClN2O2 — CID 72679840

IUPACN-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
SMILESCOc1cccc(N2CCOCC2CNC(C)c2cccc3ccccc23)c1.Cl
InChIInChI=1S/C24H28N2O2.ClH/c1-18(23-12-5-8-19-7-3-4-11-24(19)23)25-16-21-17-28-14-13-26(21)20-9-6-10-22(15-20)27-2;/h3-12,15,18,21,25H,13-14,16-17H2,1-2H3;1H
InChIKeyIKMXZALGSWFITC-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.83
Rot. Bonds6

About N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride

N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride (PubChem CID 72679840) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
PubChem CID72679840
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC NameN-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
SMILESCOc1cccc(N2CCOCC2CNC(C)c2cccc3ccccc23)c1.Cl
InChIInChI=1S/C24H28N2O2.ClH/c1-18(23-12-5-8-19-7-3-4-11-24(19)23)25-16-21-17-28-14-13-26(21)20-9-6-10-22(15-20)27-2;/h3-12,15,18,21,25H,13-14,16-17H2,1-2H3;1H
InChIKeyIKMXZALGSWFITC-UHFFFAOYSA-N
XLogP4.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The IUPAC name of N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride (CID 72679840) is N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride.
What is the SMILES notation for N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The canonical SMILES for N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride is COc1cccc(N2CCOCC2CNC(C)c2cccc3ccccc23)c1.Cl.
What is the InChIKey of N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The InChIKey is IKMXZALGSWFITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2.ClH/c1-18(23-12-5-8-19-7-3-4-11-24(19)23)25-16-21-17-28-14-13-26(21)20-9-6-10-22(15-20)27-2;/h3-12,15,18,21,25H,13-14,16-17H2,1-2H3;1H.
What are the key properties of N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride has a molecular weight of 412.96 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride is sourced from PubChem (CID 72679840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).