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

C18H27NO — CID 79127521

IUPAC1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(C2(CN)CCCc3ccccc32)C1
InChIInChI=1S/C18H27NO/c1-14-6-4-11-18(20,12-14)17(13-19)10-5-8-15-7-2-3-9-16(15)17/h2-3,7,9,14,20H,4-6,8,10-13,19H2,1H3
InChIKeyTZPKGOYGNXAJMX-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.16
Rot. Bonds2

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

1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol (PubChem CID 79127521) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol
PubChem CID79127521
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(C2(CN)CCCc3ccccc32)C1
InChIInChI=1S/C18H27NO/c1-14-6-4-11-18(20,12-14)17(13-19)10-5-8-15-7-2-3-9-16(15)17/h2-3,7,9,14,20H,4-6,8,10-13,19H2,1H3
InChIKeyTZPKGOYGNXAJMX-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-4-methylcycloheptan-1-ol
CID 79126068
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-methylcycloheptan-1-ol
CID 79123967
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol
CID 79125407
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol
CID 79126222
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol
CID 79125705
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
(1-cyclopropyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 104819342
2-[1-[1-(2-hydroxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 102025626
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
(1-cyclopentyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 82933231
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115420935
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol
CID 79125916

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol (CID 79127521) is 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(C2(CN)CCCc3ccccc32)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol?
The InChIKey is TZPKGOYGNXAJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-6-4-11-18(20,12-14)17(13-19)10-5-8-15-7-2-3-9-16(15)17/h2-3,7,9,14,20H,4-6,8,10-13,19H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol?
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 79127521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).