N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine

C29H33NO3 — CID 164724177

IUPACN-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOC[C@H](Oc1ccc2c(c1C(C)C)/C(=N/c1ccc(OC)cc1)CCC2)c1ccccc1
InChIInChI=1S/C29H33NO3/c1-20(2)28-26(33-27(19-31-3)21-9-6-5-7-10-21)18-13-22-11-8-12-25(29(22)28)30-23-14-16-24(32-4)17-15-23/h5-7,9-10,13-18,20,27H,8,11-12,19H2,1-4H3/b30-25+/t27-/m0/s1
InChIKeyMDBXZXFLSMIWRW-LLDNVPTHSA-N
MW443.59 g/mol
LogP7.04
Rot. Bonds8

About N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine

N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 164724177) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID164724177
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC NameN-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOC[C@H](Oc1ccc2c(c1C(C)C)/C(=N/c1ccc(OC)cc1)CCC2)c1ccccc1
InChIInChI=1S/C29H33NO3/c1-20(2)28-26(33-27(19-31-3)21-9-6-5-7-10-21)18-13-22-11-8-12-25(29(22)28)30-23-14-16-24(32-4)17-15-23/h5-7,9-10,13-18,20,27H,8,11-12,19H2,1-4H3/b30-25+/t27-/m0/s1
InChIKeyMDBXZXFLSMIWRW-LLDNVPTHSA-N
XLogP7.04
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine (CID 164724177) is N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine is COC[C@H](Oc1ccc2c(c1C(C)C)/C(=N/c1ccc(OC)cc1)CCC2)c1ccccc1.
What is the InChIKey of N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is MDBXZXFLSMIWRW-LLDNVPTHSA-N. The full InChI is InChI=1S/C29H33NO3/c1-20(2)28-26(33-27(19-31-3)21-9-6-5-7-10-21)18-13-22-11-8-12-25(29(22)28)30-23-14-16-24(32-4)17-15-23/h5-7,9-10,13-18,20,27H,8,11-12,19H2,1-4H3/b30-25+/t27-/m0/s1.
What are the key properties of N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine?
N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 443.59 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 164724177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).