[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol

C19H23NO — CID 79123653

IUPAC[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1(CN)CCCc2ccccc21
InChIInChI=1S/C19H23NO/c1-14-7-2-4-10-16(14)18(21)19(13-20)12-6-9-15-8-3-5-11-17(15)19/h2-5,7-8,10-11,18,21H,6,9,12-13,20H2,1H3
InChIKeyQZNJBSOMHOQAQN-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.26
Rot. Bonds3

About [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol

[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol (PubChem CID 79123653) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol
PubChem CID79123653
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1(CN)CCCc2ccccc21
InChIInChI=1S/C19H23NO/c1-14-7-2-4-10-16(14)18(21)19(13-20)12-6-9-15-8-3-5-11-17(15)19/h2-5,7-8,10-11,18,21H,6,9,12-13,20H2,1H3
InChIKeyQZNJBSOMHOQAQN-UHFFFAOYSA-N
XLogP3.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol (CID 79123653) is [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol is Cc1ccccc1C(O)C1(CN)CCCc2ccccc21.
What is the InChIKey of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol?
The InChIKey is QZNJBSOMHOQAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-7-2-4-10-16(14)18(21)19(13-20)12-6-9-15-8-3-5-11-17(15)19/h2-5,7-8,10-11,18,21H,6,9,12-13,20H2,1H3.
What are the key properties of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol?
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol has a molecular weight of 281.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol is sourced from PubChem (CID 79123653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).