N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H20BrNO — CID 63452223

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCc1c(Br)cccc1NC1CCCc2ccccc21
InChIInChI=1S/C18H20BrNO/c1-21-12-15-16(19)9-5-11-18(15)20-17-10-4-7-13-6-2-3-8-14(13)17/h2-3,5-6,8-9,11,17,20H,4,7,10,12H2,1H3
InChIKeyWFBADKQRLVSTGR-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.09
Rot. Bonds4

About N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63452223) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63452223
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCc1c(Br)cccc1NC1CCCc2ccccc21
InChIInChI=1S/C18H20BrNO/c1-21-12-15-16(19)9-5-11-18(15)20-17-10-4-7-13-6-2-3-8-14(13)17/h2-3,5-6,8-9,11,17,20H,4,7,10,12H2,1H3
InChIKeyWFBADKQRLVSTGR-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-2-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466413
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
N-[3-bromo-2-(methoxymethyl)phenyl]adamantan-2-amine
CID 63452783
3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 64762886
N-(2,6-dibromophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107597542
4-bromo-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 43746242
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63590242
N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 43672235
3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 82789255
N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107591425

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63452223) is N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COCc1c(Br)cccc1NC1CCCc2ccccc21.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WFBADKQRLVSTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-21-12-15-16(19)9-5-11-18(15)20-17-10-4-7-13-6-2-3-8-14(13)17/h2-3,5-6,8-9,11,17,20H,4,7,10,12H2,1H3.
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 346.27 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63452223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).