1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine

C20H24BrNO — CID 18361480

IUPAC1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCc2cc(OCc3cccc(Br)c3)ccc2C1
InChIInChI=1S/C20H24BrNO/c1-22(2)13-15-6-7-18-12-20(9-8-17(18)10-15)23-14-16-4-3-5-19(21)11-16/h3-5,8-9,11-12,15H,6-7,10,13-14H2,1-2H3
InChIKeyQYKRHRAFRVDDTI-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.69
Rot. Bonds5

About 1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine

1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine (PubChem CID 18361480) has the molecular formula C20H24BrNO and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
PubChem CID18361480
Molecular FormulaC20H24BrNO
Molecular Weight374.32 g/mol
Exact Mass373.10
IUPAC Name1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCc2cc(OCc3cccc(Br)c3)ccc2C1
InChIInChI=1S/C20H24BrNO/c1-22(2)13-15-6-7-18-12-20(9-8-17(18)10-15)23-14-16-4-3-5-19(21)11-16/h3-5,8-9,11-12,15H,6-7,10,13-14H2,1-2H3
InChIKeyQYKRHRAFRVDDTI-UHFFFAOYSA-N
XLogP4.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
CID 18361484
5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315
1-[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 18361596
[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol
CID 59091076
N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine
CID 18361489
N,N,N'-trimethyl-N'-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 18361575
(6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 58289871
N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 18361491
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
hydroxy-dimethyl-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]azanium
CID 91416199

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine (CID 18361480) is 1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCc2cc(OCc3cccc(Br)c3)ccc2C1.
What is the InChIKey of 1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine?
The InChIKey is QYKRHRAFRVDDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO/c1-22(2)13-15-6-7-18-12-20(9-8-17(18)10-15)23-14-16-4-3-5-19(21)11-16/h3-5,8-9,11-12,15H,6-7,10,13-14H2,1-2H3.
What are the key properties of 1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine?
1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine has a molecular weight of 374.32 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 18361480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).