N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C17H25N — CID 43766112

IUPACN-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCc1ccccc1NC1CCC2CCCCC2C1
InChIInChI=1S/C17H25N/c1-13-6-2-5-9-17(13)18-16-11-10-14-7-3-4-8-15(14)12-16/h2,5-6,9,14-16,18H,3-4,7-8,10-12H2,1H3
InChIKeyQOHKANFHZFATRQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.77
Rot. Bonds2

About N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43766112) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43766112
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCc1ccccc1NC1CCC2CCCCC2C1
InChIInChI=1S/C17H25N/c1-13-6-2-5-9-17(13)18-16-11-10-14-7-3-4-8-15(14)12-16/h2,5-6,9,14-16,18H,3-4,7-8,10-12H2,1H3
InChIKeyQOHKANFHZFATRQ-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43766112) is N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is Cc1ccccc1NC1CCC2CCCCC2C1.
What is the InChIKey of N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is QOHKANFHZFATRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-13-6-2-5-9-17(13)18-16-11-10-14-7-3-4-8-15(14)12-16/h2,5-6,9,14-16,18H,3-4,7-8,10-12H2,1H3.
What are the key properties of N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43766112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).