N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline

C29H29NO — CID 54366801

IUPACN,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline
SMILESCOc1ccc(N(C=C2CCCc3ccccc32)C=C2CCCc3ccccc32)cc1
InChIInChI=1S/C29H29NO/c1-31-27-18-16-26(17-19-27)30(20-24-12-6-10-22-8-2-4-14-28(22)24)21-25-13-7-11-23-9-3-5-15-29(23)25/h2-5,8-9,14-21H,6-7,10-13H2,1H3
InChIKeyUQIWFQCQMXDZGT-UHFFFAOYSA-N
MW407.56 g/mol
LogP7.26
Rot. Bonds4

About N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline

N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline (PubChem CID 54366801) has the molecular formula C29H29NO and a molecular weight of 407.56 g/mol. Its IUPAC name is N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline.

Molecular Properties

Compound NameN,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline
PubChem CID54366801
Molecular FormulaC29H29NO
Molecular Weight407.56 g/mol
Exact Mass407.22
IUPAC NameN,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline
SMILESCOc1ccc(N(C=C2CCCc3ccccc32)C=C2CCCc3ccccc32)cc1
InChIInChI=1S/C29H29NO/c1-31-27-18-16-26(17-19-27)30(20-24-12-6-10-22-8-2-4-14-28(22)24)21-25-13-7-11-23-9-3-5-15-29(23)25/h2-5,8-9,14-21H,6-7,10-13H2,1H3
InChIKeyUQIWFQCQMXDZGT-UHFFFAOYSA-N
XLogP7.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline?
The IUPAC name of N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline (CID 54366801) is N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline.
What is the SMILES notation for N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline?
The canonical SMILES for N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline is COc1ccc(N(C=C2CCCc3ccccc32)C=C2CCCc3ccccc32)cc1.
What is the InChIKey of N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline?
The InChIKey is UQIWFQCQMXDZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO/c1-31-27-18-16-26(17-19-27)30(20-24-12-6-10-22-8-2-4-14-28(22)24)21-25-13-7-11-23-9-3-5-15-29(23)25/h2-5,8-9,14-21H,6-7,10-13H2,1H3.
What are the key properties of N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline?
N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline has a molecular weight of 407.56 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline is sourced from PubChem (CID 54366801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).