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

C17H18ClN — CID 43758617

IUPACN-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1c(Cl)cccc1NC1CCc2ccccc2C1
InChIInChI=1S/C17H18ClN/c1-12-16(18)7-4-8-17(12)19-15-10-9-13-5-2-3-6-14(13)11-15/h2-8,15,19H,9-11H2,1H3
InChIKeyYBSOHQMVHULQBF-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.62
Rot. Bonds2

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

N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 43758617) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID43758617
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC NameN-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1c(Cl)cccc1NC1CCc2ccccc2C1
InChIInChI=1S/C17H18ClN/c1-12-16(18)7-4-8-17(12)19-15-10-9-13-5-2-3-6-14(13)11-15/h2-8,15,19H,9-11H2,1H3
InChIKeyYBSOHQMVHULQBF-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

N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43755235
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
(2R)-N-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 31196228
N-(3-chloro-2-methylphenyl)-1,1-dioxothian-4-amine
CID 43511461
4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115468885
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909
N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107572538
N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 65467595
N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43221477
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-5-amine
CID 43759315
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531796
N-(2,6-dibromophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597579

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 43758617) is N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1c(Cl)cccc1NC1CCc2ccccc2C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is YBSOHQMVHULQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-12-16(18)7-4-8-17(12)19-15-10-9-13-5-2-3-6-14(13)11-15/h2-8,15,19H,9-11H2,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(3-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-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 43758617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).