(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine

C16H19NO — CID 18466222

IUPAC(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
SMILESCOc1ccc2cc3c(cc2c1)CCCC3CN
InChIInChI=1S/C16H19NO/c1-18-15-6-5-11-9-16-12(7-14(11)8-15)3-2-4-13(16)10-17/h5-9,13H,2-4,10,17H2,1H3
InChIKeyDCKRXDBUTOCXEG-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.23
Rot. Bonds2

About (6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine

(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine (PubChem CID 18466222) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine.

Molecular Properties

Compound Name(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
PubChem CID18466222
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
SMILESCOc1ccc2cc3c(cc2c1)CCCC3CN
InChIInChI=1S/C16H19NO/c1-18-15-6-5-11-9-16-12(7-14(11)8-15)3-2-4-13(16)10-17/h5-9,13H,2-4,10,17H2,1H3
InChIKeyDCKRXDBUTOCXEG-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydroanthracen-1-ylmethanamine
CID 151662391
[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889892
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 144986736
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129362608
(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine
CID 14924019

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine?
The IUPAC name of (6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine (CID 18466222) is (6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine.
What is the SMILES notation for (6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine?
The canonical SMILES for (6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine is COc1ccc2cc3c(cc2c1)CCCC3CN.
What is the InChIKey of (6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine?
The InChIKey is DCKRXDBUTOCXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-18-15-6-5-11-9-16-12(7-14(11)8-15)3-2-4-13(16)10-17/h5-9,13H,2-4,10,17H2,1H3.
What are the key properties of (6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine?
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine is sourced from PubChem (CID 18466222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).