ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C16H27NO — CID 144986736

IUPACethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCC.CCCOc1ccc2c(c1)CCCC2CN
InChIInChI=1S/C14H21NO.C2H6/c1-2-8-16-13-6-7-14-11(9-13)4-3-5-12(14)10-15;1-2/h6-7,9,12H,2-5,8,10,15H2,1H3;1-2H3
InChIKeyKUVKBUKBPSNPLL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.88
Rot. Bonds4

About ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 144986736) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Nameethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID144986736
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Nameethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCC.CCCOc1ccc2c(c1)CCCC2CN
InChIInChI=1S/C14H21NO.C2H6/c1-2-8-16-13-6-7-14-11(9-13)4-3-5-12(14)10-15;1-2/h6-7,9,12H,2-5,8,10,15H2,1H3;1-2H3
InChIKeyKUVKBUKBPSNPLL-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
CID 14181183
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721
5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105422256
[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 66651510
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222
[3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol
CID 155313925
3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 118597670
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889892
1,2,3,4-tetrahydroanthracen-1-ylmethanamine
CID 151662391
6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104647002
5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683001

Frequently Asked Questions

What is the IUPAC name of ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 144986736) is ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is CC.CCCOc1ccc2c(c1)CCCC2CN.
What is the InChIKey of ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is KUVKBUKBPSNPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C2H6/c1-2-8-16-13-6-7-14-11(9-13)4-3-5-12(14)10-15;1-2/h6-7,9,12H,2-5,8,10,15H2,1H3;1-2H3.
What are the key properties of ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 249.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 144986736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).