1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol

C17H27NO2 — CID 106676605

IUPAC1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)C1(CN)CCc2ccccc2C1
InChIInChI=1S/C17H27NO2/c1-16(2,20-3)11-15(19)17(12-18)9-8-13-6-4-5-7-14(13)10-17/h4-7,15,19H,8-12,18H2,1-3H3
InChIKeyCOSCGAUFCJHYDC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.30
Rot. Bonds5

About 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol

1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol (PubChem CID 106676605) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol
PubChem CID106676605
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)C1(CN)CCc2ccccc2C1
InChIInChI=1S/C17H27NO2/c1-16(2,20-3)11-15(19)17(12-18)9-8-13-6-4-5-7-14(13)10-17/h4-7,15,19H,8-12,18H2,1-3H3
InChIKeyCOSCGAUFCJHYDC-UHFFFAOYSA-N
XLogP2.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol
CID 79137553
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol
CID 79137895
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol
CID 106676604
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol
CID 79135340
2-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,1-dimethoxypropan-2-ol
CID 79125062
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol
CID 79123873
1-(1-hydroxy-3-methoxy-3-methylbutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 106676573
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol
CID 79138711
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104772118
[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 65408100
2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
CID 79128929
1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol
CID 79138486

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol (CID 106676605) is 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol is COC(C)(C)CC(O)C1(CN)CCc2ccccc2C1.
What is the InChIKey of 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol?
The InChIKey is COSCGAUFCJHYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,20-3)11-15(19)17(12-18)9-8-13-6-4-5-7-14(13)10-17/h4-7,15,19H,8-12,18H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol?
1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 106676605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).