(2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine

C19H21NO — CID 10923928

IUPAC(2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine
SMILESCOc1ccc2c(c1)/C(=C/CN)C(Cc1ccccc1)C2
InChIInChI=1S/C19H21NO/c1-21-17-8-7-15-12-16(11-14-5-3-2-4-6-14)18(9-10-20)19(15)13-17/h2-9,13,16H,10-12,20H2,1H3/b18-9+
InChIKeyFQOXJCAQWQNAMO-GIJQJNRQSA-N
MW279.38 g/mol
LogP3.45
Rot. Bonds4

About (2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine

(2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine (PubChem CID 10923928) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine.

Molecular Properties

Compound Name(2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine
PubChem CID10923928
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine
SMILESCOc1ccc2c(c1)/C(=C/CN)C(Cc1ccccc1)C2
InChIInChI=1S/C19H21NO/c1-21-17-8-7-15-12-16(11-14-5-3-2-4-6-14)18(9-10-20)19(15)13-17/h2-9,13,16H,10-12,20H2,1H3/b18-9+
InChIKeyFQOXJCAQWQNAMO-GIJQJNRQSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
2-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethanamine
CID 54094556
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
(2S)-2-but-2-enyl-6-methoxy-2,3-dihydroinden-1-one
CID 67713869
8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine
CID 145489426
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708832
1-benzyl-8-methoxy-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 70982269
4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol
CID 70854583

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine?
The IUPAC name of (2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine (CID 10923928) is (2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine.
What is the SMILES notation for (2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine?
The canonical SMILES for (2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine is COc1ccc2c(c1)/C(=C/CN)C(Cc1ccccc1)C2.
What is the InChIKey of (2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine?
The InChIKey is FQOXJCAQWQNAMO-GIJQJNRQSA-N. The full InChI is InChI=1S/C19H21NO/c1-21-17-8-7-15-12-16(11-14-5-3-2-4-6-14)18(9-10-20)19(15)13-17/h2-9,13,16H,10-12,20H2,1H3/b18-9+.
What are the key properties of (2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine?
(2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine is sourced from PubChem (CID 10923928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).