1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol

C16H25NO2 — CID 103905995

IUPAC1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
SMILESCOCC(O)CCNC1CCCCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-19-12-14(18)10-11-17-16-9-5-3-7-13-6-2-4-8-15(13)16/h2,4,6,8,14,16-18H,3,5,7,9-12H2,1H3
InChIKeyBZKKNQHGLSUAFM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.44
Rot. Bonds6

About 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol

1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol (PubChem CID 103905995) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
PubChem CID103905995
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
SMILESCOCC(O)CCNC1CCCCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-19-12-14(18)10-11-17-16-9-5-3-7-13-6-2-4-8-15(13)16/h2,4,6,8,14,16-18H,3,5,7,9-12H2,1H3
InChIKeyBZKKNQHGLSUAFM-UHFFFAOYSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol with MolForge

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Related Compounds

1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol
CID 113262793
4-methoxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-1-ol
CID 103785520
N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115712000
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
CID 114094230
4-methoxy-2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103784290
4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol
CID 106245547
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103096640
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227
N-(3-methylsulfanylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63981040

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol?
The IUPAC name of 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol (CID 103905995) is 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol.
What is the SMILES notation for 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol?
The canonical SMILES for 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol is COCC(O)CCNC1CCCCc2ccccc21.
What is the InChIKey of 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol?
The InChIKey is BZKKNQHGLSUAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-19-12-14(18)10-11-17-16-9-5-3-7-13-6-2-4-8-15(13)16/h2,4,6,8,14,16-18H,3,5,7,9-12H2,1H3.
What are the key properties of 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol?
1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol is sourced from PubChem (CID 103905995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).