2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine

C23H31N — CID 145021525

IUPAC2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ccc2c(c1)CCC(Cc1ccccc1C)C2
InChIInChI=1S/C23H31N/c1-3-6-23(16-24)22-12-11-20-14-18(9-10-21(20)15-22)13-19-8-5-4-7-17(19)2/h4-5,7-8,11-12,15,18,23H,3,6,9-10,13-14,16,24H2,1-2H3
InChIKeyMVOXYGDDBUNIGY-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.19
Rot. Bonds6

About 2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine

2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine (PubChem CID 145021525) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine
PubChem CID145021525
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ccc2c(c1)CCC(Cc1ccccc1C)C2
InChIInChI=1S/C23H31N/c1-3-6-23(16-24)22-12-11-20-14-18(9-10-21(20)15-22)13-19-8-5-4-7-17(19)2/h4-5,7-8,11-12,15,18,23H,3,6,9-10,13-14,16,24H2,1-2H3
InChIKeyMVOXYGDDBUNIGY-UHFFFAOYSA-N
XLogP5.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine?
The IUPAC name of 2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine (CID 145021525) is 2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine.
What is the SMILES notation for 2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine?
The canonical SMILES for 2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine is CCCC(CN)c1ccc2c(c1)CCC(Cc1ccccc1C)C2.
What is the InChIKey of 2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine?
The InChIKey is MVOXYGDDBUNIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-3-6-23(16-24)22-12-11-20-14-18(9-10-21(20)15-22)13-19-8-5-4-7-17(19)2/h4-5,7-8,11-12,15,18,23H,3,6,9-10,13-14,16,24H2,1-2H3.
What are the key properties of 2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine?
2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine has a molecular weight of 321.51 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-amine is sourced from PubChem (CID 145021525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).