2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline

C18H21N — CID 141108948

IUPAC2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline
SMILESCc1c(N)cccc1-c1ccc2c(c1C)CCCC2
InChIInChI=1S/C18H21N/c1-12-15-7-4-3-6-14(15)10-11-17(12)16-8-5-9-18(19)13(16)2/h5,8-11H,3-4,6-7,19H2,1-2H3
InChIKeyNNSIOLBLLAPRGQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.43
Rot. Bonds1

About 2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline

2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline (PubChem CID 141108948) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline
PubChem CID141108948
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline
SMILESCc1c(N)cccc1-c1ccc2c(c1C)CCCC2
InChIInChI=1S/C18H21N/c1-12-15-7-4-3-6-14(15)10-11-17(12)16-8-5-9-18(19)13(16)2/h5,8-11H,3-4,6-7,19H2,1-2H3
InChIKeyNNSIOLBLLAPRGQ-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline?
The IUPAC name of 2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline (CID 141108948) is 2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline.
What is the SMILES notation for 2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline?
The canonical SMILES for 2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline is Cc1c(N)cccc1-c1ccc2c(c1C)CCCC2.
What is the InChIKey of 2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline?
The InChIKey is NNSIOLBLLAPRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-12-15-7-4-3-6-14(15)10-11-17(12)16-8-5-9-18(19)13(16)2/h5,8-11H,3-4,6-7,19H2,1-2H3.
What are the key properties of 2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline?
2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline has a molecular weight of 251.37 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline is sourced from PubChem (CID 141108948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).