(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol

C18H21NO — CID 61046616

IUPAC(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
SMILESOCC1(Nc2ccccc2)CCCCc2ccccc21
InChIInChI=1S/C18H21NO/c20-14-18(19-16-10-2-1-3-11-16)13-7-6-9-15-8-4-5-12-17(15)18/h1-5,8,10-12,19-20H,6-7,9,13-14H2
InChIKeyIUAZTAARHHIWED-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.71
Rot. Bonds3

About (5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol

(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol (PubChem CID 61046616) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol.

Molecular Properties

Compound Name(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
PubChem CID61046616
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
SMILESOCC1(Nc2ccccc2)CCCCc2ccccc21
InChIInChI=1S/C18H21NO/c20-14-18(19-16-10-2-1-3-11-16)13-7-6-9-15-8-4-5-12-17(15)18/h1-5,8,10-12,19-20H,6-7,9,13-14H2
InChIKeyIUAZTAARHHIWED-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61048656
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol
CID 61050687
[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
CID 61054556
1-anilino-2,3-dihydroindene-1-carboxylic acid
CID 12740130
(2-anilino-1,3-dihydroinden-2-yl)methanol
CID 61047339
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
1-anilino-2,3-dihydroindene-1-carbonitrile
CID 12740114

Frequently Asked Questions

What is the IUPAC name of (5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol?
The IUPAC name of (5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol (CID 61046616) is (5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol.
What is the SMILES notation for (5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol?
The canonical SMILES for (5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol is OCC1(Nc2ccccc2)CCCCc2ccccc21.
What is the InChIKey of (5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol?
The InChIKey is IUAZTAARHHIWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-14-18(19-16-10-2-1-3-11-16)13-7-6-9-15-8-4-5-12-17(15)18/h1-5,8,10-12,19-20H,6-7,9,13-14H2.
What are the key properties of (5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol?
(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol has a molecular weight of 267.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol is sourced from PubChem (CID 61046616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).