6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine

C18H19BrF3N — CID 170567362

IUPAC6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine
SMILESCCN(CC=C(C)C)c1ccc2cc(Br)ccc2c1C(F)(F)F
InChIInChI=1S/C18H19BrF3N/c1-4-23(10-9-12(2)3)16-8-5-13-11-14(19)6-7-15(13)17(16)18(20,21)22/h5-9,11H,4,10H2,1-3H3
InChIKeyTZTUDMOWABGWFN-UHFFFAOYSA-N
MW386.26 g/mol
LogP6.41
Rot. Bonds4

About 6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine

6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine (PubChem CID 170567362) has the molecular formula C18H19BrF3N and a molecular weight of 386.26 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine
PubChem CID170567362
Molecular FormulaC18H19BrF3N
Molecular Weight386.26 g/mol
Exact Mass385.07
IUPAC Name6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine
SMILESCCN(CC=C(C)C)c1ccc2cc(Br)ccc2c1C(F)(F)F
InChIInChI=1S/C18H19BrF3N/c1-4-23(10-9-12(2)3)16-8-5-13-11-14(19)6-7-15(13)17(16)18(20,21)22/h5-9,11H,4,10H2,1-3H3
InChIKeyTZTUDMOWABGWFN-UHFFFAOYSA-N
XLogP6.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.26
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9-Bromophenanthren-3-yl)-trimethylazanium iodide
CID 45488197
9-Bromo-5-ethyl-5,6,11,12-tetrahydro-dibenzo[b,f]azocine
CID 44409299
6-bromo-N,N-dimethylnaphthalen-2-amine
CID 15508907
(9-Bromophenanthren-3-yl)-trimethylazanium
CID 45488198
6-bromo-N-methylnaphthalen-2-amine
CID 300058
2-(1-(5-Bromo-6-((2-fluoroethyl)(methyl)amino)naphthalen-2-yl)ethylidene)malononitrile
CID 134158784
4-(4-bromophenyl)-N,N-diethylaniline
CID 85772430
2-Bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
CID 86198794
1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine
CID 12040745
5-Bromo-N,N-dimethylnaphthalen-1-amine
CID 21414538
4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine
CID 121327935
4-Bromo-n,n-bis(2,2,2-trifluoroethyl)-1-naphthalenamine
CID 11200011

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine?
The IUPAC name of 6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine (CID 170567362) is 6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine is CCN(CC=C(C)C)c1ccc2cc(Br)ccc2c1C(F)(F)F.
What is the InChIKey of 6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine?
The InChIKey is TZTUDMOWABGWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF3N/c1-4-23(10-9-12(2)3)16-8-5-13-11-14(19)6-7-15(13)17(16)18(20,21)22/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine?
6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine has a molecular weight of 386.26 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine is sourced from PubChem (CID 170567362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).