N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H29NO2 — CID 106665345

IUPACN-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1OCCC(C)(C)OC
InChIInChI=1S/C18H29NO2/c1-5-19-17-15-9-7-6-8-14(15)10-11-16(17)21-13-12-18(2,3)20-4/h6-9,16-17,19H,5,10-13H2,1-4H3
InChIKeyNRHUUVWOUZFADK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.48
Rot. Bonds7

About N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106665345) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106665345
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1OCCC(C)(C)OC
InChIInChI=1S/C18H29NO2/c1-5-19-17-15-9-7-6-8-14(15)10-11-16(17)21-13-12-18(2,3)20-4/h6-9,16-17,19H,5,10-13H2,1-4H3
InChIKeyNRHUUVWOUZFADK-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665401
N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103034577
N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63686004
N-ethyl-7-methoxy-2-(3-methoxypropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235470
6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 66234040
N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82788201
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659795
5-N-ethyl-6-N-methyl-6-N-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63983993
N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 134952452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106665345) is N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2CCC1OCCC(C)(C)OC.
What is the InChIKey of N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NRHUUVWOUZFADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-19-17-15-9-7-6-8-14(15)10-11-16(17)21-13-12-18(2,3)20-4/h6-9,16-17,19H,5,10-13H2,1-4H3.
What are the key properties of N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106665345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).