N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane

C29H37N — CID 142343207

IUPACN,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane
SMILESCC.Cc1ccccc1-c1c(C)ccc2c1Cc1ccc(CN(C)C)cc1C2(C)C
InChIInChI=1S/C27H31N.C2H6/c1-18-9-7-8-10-22(18)26-19(2)11-14-24-23(26)16-21-13-12-20(17-28(5)6)15-25(21)27(24,3)4;1-2/h7-15H,16-17H2,1-6H3;1-2H3
InChIKeySFHNLIOTTYLDQN-UHFFFAOYSA-N
MW399.62 g/mol
LogP7.29
Rot. Bonds3

About N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane

N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane (PubChem CID 142343207) has the molecular formula C29H37N and a molecular weight of 399.62 g/mol. Its IUPAC name is N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane
PubChem CID142343207
Molecular FormulaC29H37N
Molecular Weight399.62 g/mol
Exact Mass399.29
IUPAC NameN,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane
SMILESCC.Cc1ccccc1-c1c(C)ccc2c1Cc1ccc(CN(C)C)cc1C2(C)C
InChIInChI=1S/C27H31N.C2H6/c1-18-9-7-8-10-22(18)26-19(2)11-14-24-23(26)16-21-13-12-20(17-28(5)6)15-25(21)27(24,3)4;1-2/h7-15H,16-17H2,1-6H3;1-2H3
InChIKeySFHNLIOTTYLDQN-UHFFFAOYSA-N
XLogP7.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane?
The IUPAC name of N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane (CID 142343207) is N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane is CC.Cc1ccccc1-c1c(C)ccc2c1Cc1ccc(CN(C)C)cc1C2(C)C.
What is the InChIKey of N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane?
The InChIKey is SFHNLIOTTYLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N.C2H6/c1-18-9-7-8-10-22(18)26-19(2)11-14-24-23(26)16-21-13-12-20(17-28(5)6)15-25(21)27(24,3)4;1-2/h7-15H,16-17H2,1-6H3;1-2H3.
What are the key properties of N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane?
N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane has a molecular weight of 399.62 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6,9,9-trimethyl-5-(2-methylphenyl)-10H-anthracen-2-yl]methanamine;ethane is sourced from PubChem (CID 142343207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).