[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol

C18H21NO — CID 79137764

IUPAC[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1(CN)CCc2ccccc21
InChIInChI=1S/C18H21NO/c1-13-6-2-4-8-15(13)17(20)18(12-19)11-10-14-7-3-5-9-16(14)18/h2-9,17,20H,10-12,19H2,1H3
InChIKeyHBAILPCGRRXUNJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.87
Rot. Bonds3

About [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol (PubChem CID 79137764) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol
PubChem CID79137764
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1(CN)CCc2ccccc21
InChIInChI=1S/C18H21NO/c1-13-6-2-4-8-15(13)17(20)18(12-19)11-10-14-7-3-5-9-16(14)18/h2-9,17,20H,10-12,19H2,1H3
InChIKeyHBAILPCGRRXUNJ-UHFFFAOYSA-N
XLogP2.87
TPSA46.25 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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol
CID 79123653
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol
CID 79137526
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol
CID 79138518
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,3-dimethylpyrazol-4-yl)methanol
CID 83095188
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 79595903
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylpyrimidin-4-yl)methanol
CID 115530059
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol
CID 79124777
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol
CID 79123645
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol
CID 79427568
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol
CID 79125450
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol
CID 79134701
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol (CID 79137764) is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol is Cc1ccccc1C(O)C1(CN)CCc2ccccc21.
What is the InChIKey of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol?
The InChIKey is HBAILPCGRRXUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-6-2-4-8-15(13)17(20)18(12-19)11-10-14-7-3-5-9-16(14)18/h2-9,17,20H,10-12,19H2,1H3.
What are the key properties of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol?
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol has a molecular weight of 267.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol is sourced from PubChem (CID 79137764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).