8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C12H16ClNO — CID 104546598

IUPAC8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(Cl)c2c1C(C)CCC2N
InChIInChI=1S/C12H16ClNO/c1-7-3-5-9(14)12-8(13)4-6-10(15-2)11(7)12/h4,6-7,9H,3,5,14H2,1-2H3
InChIKeyDCWSKYKRKNUIGP-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.25
Rot. Bonds1

About 8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 104546598) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID104546598
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(Cl)c2c1C(C)CCC2N
InChIInChI=1S/C12H16ClNO/c1-7-3-5-9(14)12-8(13)4-6-10(15-2)11(7)12/h4,6-7,9H,3,5,14H2,1-2H3
InChIKeyDCWSKYKRKNUIGP-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417509
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
8-chloro-5-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 104546581
(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 104546591
5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687985
7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417584
(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417809
4,5-dichloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 104546674
7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 18386395
2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
CID 104817620
(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417703
(5S)-4-chloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 104546659

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 104546598) is 8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc(Cl)c2c1C(C)CCC2N.
What is the InChIKey of 8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DCWSKYKRKNUIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-7-3-5-9(14)12-8(13)4-6-10(15-2)11(7)12/h4,6-7,9H,3,5,14H2,1-2H3.
What are the key properties of 8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 225.72 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 104546598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).