N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C20H25N — CID 63449232

IUPACN-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1ccc(C(C)NC2CCCCc3ccccc32)cc1
InChIInChI=1S/C20H25N/c1-15-11-13-17(14-12-15)16(2)21-20-10-6-4-8-18-7-3-5-9-19(18)20/h3,5,7,9,11-14,16,20-21H,4,6,8,10H2,1-2H3
InChIKeyOXWZMAZYFHAZNY-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.11
Rot. Bonds3

About N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63449232) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63449232
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1ccc(C(C)NC2CCCCc3ccccc32)cc1
InChIInChI=1S/C20H25N/c1-15-11-13-17(14-12-15)16(2)21-20-10-6-4-8-18-7-3-5-9-19(18)20/h3,5,7,9,11-14,16,20-21H,4,6,8,10H2,1-2H3
InChIKeyOXWZMAZYFHAZNY-UHFFFAOYSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-[(1S)-1-(3-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 81353260
N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79484128
4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide
CID 97185991
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
N-[(1R)-1-(4-methylphenyl)ethyl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 81349255
N-[1-(4-methylphenyl)ethyl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 60944766
5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81347712
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43111218
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63449232) is N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is Cc1ccc(C(C)NC2CCCCc3ccccc32)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is OXWZMAZYFHAZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15-11-13-17(14-12-15)16(2)21-20-10-6-4-8-18-7-3-5-9-19(18)20/h3,5,7,9,11-14,16,20-21H,4,6,8,10H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 279.43 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63449232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).