2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol

C15H23NO — CID 153344227

IUPAC2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
SMILESCC(C)C(O)NC1CCCCc2ccccc21
InChIInChI=1S/C15H23NO/c1-11(2)15(17)16-14-10-6-4-8-12-7-3-5-9-13(12)14/h3,5,7,9,11,14-17H,4,6,8,10H2,1-2H3
InChIKeyREZQFAFBPYVSQL-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.02
Rot. Bonds3

About 2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol

2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol (PubChem CID 153344227) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
PubChem CID153344227
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
SMILESCC(C)C(O)NC1CCCCc2ccccc21
InChIInChI=1S/C15H23NO/c1-11(2)15(17)16-14-10-6-4-8-12-7-3-5-9-13(12)14/h3,5,7,9,11,14-17H,4,6,8,10H2,1-2H3
InChIKeyREZQFAFBPYVSQL-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
(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
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688
N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 54950260
N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 43573994
N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131
N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63449232
4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol
CID 106349083
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79484128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol (CID 153344227) is 2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol is CC(C)C(O)NC1CCCCc2ccccc21.
What is the InChIKey of 2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol?
The InChIKey is REZQFAFBPYVSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)15(17)16-14-10-6-4-8-12-7-3-5-9-13(12)14/h3,5,7,9,11,14-17H,4,6,8,10H2,1-2H3.
What are the key properties of 2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol?
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol is sourced from PubChem (CID 153344227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).