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

C17H18ClN — CID 43755235

IUPACN-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(Cl)cc1NC1CCc2ccccc2C1
InChIInChI=1S/C17H18ClN/c1-12-6-8-15(18)11-17(12)19-16-9-7-13-4-2-3-5-14(13)10-16/h2-6,8,11,16,19H,7,9-10H2,1H3
InChIKeyOOWMFOFDEDWSPS-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.62
Rot. Bonds2

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

N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 43755235) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID43755235
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC NameN-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(Cl)cc1NC1CCc2ccccc2C1
InChIInChI=1S/C17H18ClN/c1-12-6-8-15(18)11-17(12)19-16-9-7-13-4-2-3-5-14(13)10-16/h2-6,8,11,16,19H,7,9-10H2,1H3
InChIKeyOOWMFOFDEDWSPS-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115468885
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile
CID 43780560
4-(5-chloro-2-methylanilino)cyclohexan-1-one
CID 117027853
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43758617
N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82816513
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909
N-(5-chloro-2-methylphenyl)thian-4-amine
CID 43511220
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512844
6-bromo-N-(2,5-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626729
(2R)-N-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 31196228
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 43755235) is N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1ccc(Cl)cc1NC1CCc2ccccc2C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is OOWMFOFDEDWSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-12-6-8-15(18)11-17(12)19-16-9-7-13-4-2-3-5-14(13)10-16/h2-6,8,11,16,19H,7,9-10H2,1H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 271.79 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 43755235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).