[5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine

C21H23NO — CID 174322340

IUPAC[5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine
SMILESCOCC1Cc2ccccc2-c2ccc3c(c21)CC(CN)C=C3
InChIInChI=1S/C21H23NO/c1-23-13-17-11-16-4-2-3-5-18(16)19-9-8-15-7-6-14(12-22)10-20(15)21(17)19/h2-9,14,17H,10-13,22H2,1H3
InChIKeyYIPLXUYPGXWWJM-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.78
Rot. Bonds3

About [5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine

[5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine (PubChem CID 174322340) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is [5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine.

Molecular Properties

Compound Name[5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine
PubChem CID174322340
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name[5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine
SMILESCOCC1Cc2ccccc2-c2ccc3c(c21)CC(CN)C=C3
InChIInChI=1S/C21H23NO/c1-23-13-17-11-16-4-2-3-5-18(16)19-9-8-15-7-6-14(12-22)10-20(15)21(17)19/h2-9,14,17H,10-13,22H2,1H3
InChIKeyYIPLXUYPGXWWJM-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dihydroazepin-3-one;[5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine
CID 174322339
3,4,5,6-tetrahydrochrysen-3-ylmethanamine
CID 174311075
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene
CID 174746968
(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one
CID 14941867
1-(methoxymethyl)-1,2-dihydrobenzo[j]aceanthrylene
CID 175233426
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxypentan-2-yl]hydrazine
CID 105267173
(3S)-3-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 100971194
2-(5-aminopentyl)-2,3-dihydroinden-1-one
CID 23389014
ethanamine;9H-fluorene
CID 158316259
2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
CID 3068616
bis(9H-fluorene);pentane
CID 159146463

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine?
The IUPAC name of [5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine (CID 174322340) is [5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine.
What is the SMILES notation for [5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine?
The canonical SMILES for [5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine is COCC1Cc2ccccc2-c2ccc3c(c21)CC(CN)C=C3.
What is the InChIKey of [5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine?
The InChIKey is YIPLXUYPGXWWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-23-13-17-11-16-4-2-3-5-18(16)19-9-8-15-7-6-14(12-22)10-20(15)21(17)19/h2-9,14,17H,10-13,22H2,1H3.
What are the key properties of [5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine?
[5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine has a molecular weight of 305.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-3,4,5,6-tetrahydrochrysen-3-yl]methanamine is sourced from PubChem (CID 174322340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).