N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C20H25N — CID 63448457

IUPACN-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCc1cccc(C)c1NC1CCCCc2ccccc21
InChIInChI=1S/C20H25N/c1-3-16-12-8-9-15(2)20(16)21-19-14-7-5-11-17-10-4-6-13-18(17)19/h4,6,8-10,12-13,19,21H,3,5,7,11,14H2,1-2H3
InChIKeyNLFUDXLOFDKYDS-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.44
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63448457) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63448457
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCc1cccc(C)c1NC1CCCCc2ccccc21
InChIInChI=1S/C20H25N/c1-3-16-12-8-9-15(2)20(16)21-19-14-7-5-11-17-10-4-6-13-18(17)19/h4,6,8-10,12-13,19,21H,3,5,7,11,14H2,1-2H3
InChIKeyNLFUDXLOFDKYDS-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4,6-trimethylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63448599
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
2-chloro-N-(2-ethyl-6-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689949
N-(2-ethyl-6-methylphenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 60924897
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine
CID 43204439
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63425782
N-(3-iodo-4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43716262
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
2-[3,5-dimethyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pyrazol-1-yl]acetonitrile
CID 167963371

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63448457) is N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCc1cccc(C)c1NC1CCCCc2ccccc21.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is NLFUDXLOFDKYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-16-12-8-9-15(2)20(16)21-19-14-7-5-11-17-10-4-6-13-18(17)19/h4,6,8-10,12-13,19,21H,3,5,7,11,14H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 279.43 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63448457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).