2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H20ClNO — CID 62671078

IUPAC2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Oc1ccc(C)cc1Cl
InChIInChI=1S/C18H20ClNO/c1-12-7-9-16(15(19)11-12)21-17-10-8-13-5-3-4-6-14(13)18(17)20-2/h3-7,9,11,17-18,20H,8,10H2,1-2H3
InChIKeySADZXUMOZUJQIF-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.30
Rot. Bonds3

About 2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 62671078) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID62671078
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Oc1ccc(C)cc1Cl
InChIInChI=1S/C18H20ClNO/c1-12-7-9-16(15(19)11-12)21-17-10-8-13-5-3-4-6-14(13)18(17)20-2/h3-7,9,11,17-18,20H,8,10H2,1-2H3
InChIKeySADZXUMOZUJQIF-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 62671078) is 2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1Oc1ccc(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SADZXUMOZUJQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-7-9-16(15(19)11-12)21-17-10-8-13-5-3-4-6-14(13)18(17)20-2/h3-7,9,11,17-18,20H,8,10H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 301.82 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 62671078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).