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

C12H17NO — CID 61055624

IUPAC(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
SMILESNC1(CO)CCCCc2ccccc21
InChIInChI=1S/C12H17NO/c13-12(9-14)8-4-3-6-10-5-1-2-7-11(10)12/h1-2,5,7,14H,3-4,6,8-9,13H2
InChIKeyHMNKEVRCYAUYIE-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.56
Rot. Bonds1

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

(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol (PubChem CID 61055624) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol.

Molecular Properties

Compound Name(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
PubChem CID61055624
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
SMILESNC1(CO)CCCCc2ccccc21
InChIInChI=1S/C12H17NO/c13-12(9-14)8-4-3-6-10-5-1-2-7-11(10)12/h1-2,5,7,14H,3-4,6,8-9,13H2
InChIKeyHMNKEVRCYAUYIE-UHFFFAOYSA-N
XLogP1.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 64663881
5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407550
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 60797953
(1-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 83907370
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
5-[(5-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103047824
5-[(4-bromothiophen-2-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407551
(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61046616
5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 114853405
5-[(3-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103039214
5-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 115983446

Frequently Asked Questions

What is the IUPAC name of (5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol?
The IUPAC name of (5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol (CID 61055624) is (5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol.
What is the SMILES notation for (5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol?
The canonical SMILES for (5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol is NC1(CO)CCCCc2ccccc21.
What is the InChIKey of (5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol?
The InChIKey is HMNKEVRCYAUYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-12(9-14)8-4-3-6-10-5-1-2-7-11(10)12/h1-2,5,7,14H,3-4,6,8-9,13H2.
What are the key properties of (5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol?
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol is sourced from PubChem (CID 61055624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).