1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine

C18H20ClNO — CID 81152018

IUPAC1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc3c(c2)CCCC3)c(Cl)c1
InChIInChI=1S/C18H20ClNO/c1-20-12-13-6-9-18(17(19)10-13)21-16-8-7-14-4-2-3-5-15(14)11-16/h6-11,20H,2-5,12H2,1H3
InChIKeyZQFIAFRJWDOQNI-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.73
Rot. Bonds4

About 1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine

1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine (PubChem CID 81152018) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine
PubChem CID81152018
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc3c(c2)CCCC3)c(Cl)c1
InChIInChI=1S/C18H20ClNO/c1-20-12-13-6-9-18(17(19)10-13)21-16-8-7-14-4-2-3-5-15(14)11-16/h6-11,20H,2-5,12H2,1H3
InChIKeyZQFIAFRJWDOQNI-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
CID 81152008
N-methyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanamine
CID 63551846
1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]-N-methylmethanamine
CID 63942120
1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine
CID 81155007
1-[3-chloro-4-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81155419
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839
1-[4-(3,4-dichlorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63551292
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531226
3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea
CID 88724929
1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81331494
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 81154995

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine (CID 81152018) is 1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc3c(c2)CCCC3)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine?
The InChIKey is ZQFIAFRJWDOQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-20-12-13-6-9-18(17(19)10-13)21-16-8-7-14-4-2-3-5-15(14)11-16/h6-11,20H,2-5,12H2,1H3.
What are the key properties of 1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine?
1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine has a molecular weight of 301.82 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 81152018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).