N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine

C16H25NO — CID 62353843

IUPACN,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
SMILESCCC(C)(CNC)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H25NO/c1-4-16(2,12-17-3)18-15-10-9-13-7-5-6-8-14(13)11-15/h9-11,17H,4-8,12H2,1-3H3
InChIKeyNGKPCAXZFRBDMW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds5

About N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine

N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine (PubChem CID 62353843) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
PubChem CID62353843
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
SMILESCCC(C)(CNC)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H25NO/c1-4-16(2,12-17-3)18-15-10-9-13-7-5-6-8-14(13)11-15/h9-11,17H,4-8,12H2,1-3H3
InChIKeyNGKPCAXZFRBDMW-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine
CID 62353443
N-ethyl-2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62355231
N,2,2-trimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 79628455
2-(3-chloro-4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 63878844
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 28917689
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 88611694
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196158
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
4-(2,3-dihydro-1H-inden-5-yloxy)-N,2-dimethylbutan-2-amine
CID 94686046
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine
CID 62460723

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The IUPAC name of N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine (CID 62353843) is N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The canonical SMILES for N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine is CCC(C)(CNC)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The InChIKey is NGKPCAXZFRBDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(2,12-17-3)18-15-10-9-13-7-5-6-8-14(13)11-15/h9-11,17H,4-8,12H2,1-3H3.
What are the key properties of N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine is sourced from PubChem (CID 62353843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).