N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H20ClNO — CID 43102702

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(Cl)c(C)cc1NC1CCCc2ccccc21
InChIInChI=1S/C18H20ClNO/c1-12-10-17(18(21-2)11-15(12)19)20-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10-11,16,20H,5,7,9H2,1-2H3
InChIKeyKNDMEMWJWVCFTN-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.15
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43102702) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43102702
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(Cl)c(C)cc1NC1CCCc2ccccc21
InChIInChI=1S/C18H20ClNO/c1-12-10-17(18(21-2)11-15(12)19)20-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10-11,16,20H,5,7,9H2,1-2H3
InChIKeyKNDMEMWJWVCFTN-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465900
N-(2-chloro-5-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63454516
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 42926295
2-(2-chloro-4,5-dimethoxyanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42893836
4-chloro-2-methoxy-5-methyl-N-(3-phenylcyclobutyl)aniline
CID 43632094
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
N-(5-chloro-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43438379
4-methoxy-6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 115626948
3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2671208
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43102702) is N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cc(Cl)c(C)cc1NC1CCCc2ccccc21.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KNDMEMWJWVCFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-10-17(18(21-2)11-15(12)19)20-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10-11,16,20H,5,7,9H2,1-2H3.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 301.82 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43102702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).