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

C17H27NO — CID 104628831

IUPACN-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOCCC(C)(C)CNC1CCc2ccccc2C1
InChIInChI=1S/C17H27NO/c1-17(2,10-11-19-3)13-18-16-9-8-14-6-4-5-7-15(14)12-16/h4-7,16,18H,8-13H2,1-3H3
InChIKeyBRVRKBHLCBXAQB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.20
Rot. Bonds6

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

N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 104628831) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID104628831
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOCCC(C)(C)CNC1CCc2ccccc2C1
InChIInChI=1S/C17H27NO/c1-17(2,10-11-19-3)13-18-16-9-8-14-6-4-5-7-15(14)12-16/h4-7,16,18H,8-13H2,1-3H3
InChIKeyBRVRKBHLCBXAQB-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate
CID 104644358
1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 103784233
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223105
N-(cyclobutylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43775224
(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162
N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115572613
5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 104628801
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea
CID 115570802
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106127210
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60669476

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 104628831) is N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COCCC(C)(C)CNC1CCc2ccccc2C1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BRVRKBHLCBXAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,10-11-19-3)13-18-16-9-8-14-6-4-5-7-15(14)12-16/h4-7,16,18H,8-13H2,1-3H3.
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 104628831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).